Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 35
Filtrar
1.
Bioinformatics ; 40(1)2024 01 02.
Artigo em Inglês | MEDLINE | ID: mdl-38175759

RESUMO

MOTIVATION: Binding of peptides to major histocompatibility complex (MHC) molecules plays a crucial role in triggering T cell recognition mechanisms essential for immune response. Accurate prediction of MHC-peptide binding is vital for the development of cancer therapeutic vaccines. While recent deep learning-based methods have achieved significant performance in predicting MHC-peptide binding affinity, most of them separately encode MHC molecules and peptides as inputs, potentially overlooking critical interaction information between the two. RESULTS: In this work, we propose RPEMHC, a new deep learning approach based on residue-residue pair encoding to predict the binding affinity between peptides and MHC, which encode an MHC molecule and a peptide as a residue-residue pair map. We evaluate the performance of RPEMHC on various MHC-II-related datasets for MHC-peptide binding prediction, demonstrating that RPEMHC achieves better or comparable performance against other state-of-the-art baselines. Moreover, we further construct experiments on MHC-I-related datasets, and experimental results demonstrate that our method can work on both two MHC classes. These extensive validations have manifested that RPEMHC is an effective tool for studying MHC-peptide interactions and can potentially facilitate the vaccine development. AVAILABILITY: The source code of the method along with trained models is freely available at https://github.com/lennylv/RPEMHC.


Assuntos
Aprendizado Profundo , Ligação Proteica , Peptídeos/química , Complexo Principal de Histocompatibilidade , Antígenos de Histocompatibilidade Classe I/metabolismo
2.
Bioinformatics ; 39(2)2023 02 03.
Artigo em Inglês | MEDLINE | ID: mdl-36688724

RESUMO

MOTIVATION: Accurate and rapid prediction of protein-ligand binding affinity is a great challenge currently encountered in drug discovery. Recent advances have manifested a promising alternative in applying deep learning-based computational approaches for accurately quantifying binding affinity. The structure complementarity between protein-binding pocket and ligand has a great effect on the binding strength between a protein and a ligand, but most of existing deep learning approaches usually extracted the features of pocket and ligand by these two detached modules. RESULTS: In this work, a new deep learning approach based on the cross-attention mechanism named CAPLA was developed for improved prediction of protein-ligand binding affinity by learning features from sequence-level information of both protein and ligand. Specifically, CAPLA employs the cross-attention mechanism to capture the mutual effect of protein-binding pocket and ligand. We evaluated the performance of our proposed CAPLA on comprehensive benchmarking experiments on binding affinity prediction, demonstrating the superior performance of CAPLA over state-of-the-art baseline approaches. Moreover, we provided the interpretability for CAPLA to uncover critical functional residues that contribute most to the binding affinity through the analysis of the attention scores generated by the cross-attention mechanism. Consequently, these results indicate that CAPLA is an effective approach for binding affinity prediction and may contribute to useful help for further consequent applications. AVAILABILITY AND IMPLEMENTATION: The source code of the method along with trained models is freely available at https://github.com/lennylv/CAPLA. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
Aprendizado Profundo , Ligantes , Proteínas/química , Ligação Proteica , Software
3.
BMC Psychiatry ; 24(1): 5, 2024 01 02.
Artigo em Inglês | MEDLINE | ID: mdl-38166946

RESUMO

INTRODUCTION: 'Let's Talk About Children' is a brief family focused intervention developed to improve mental health outcomes of children of parents with mental illness (COPMI). This study aims to assess the efficacy of LTC in improving mental health of children of parents with schizophrenia or bipolar disorder in China. METHODS: The planned study is a multicentre parallel group randomized wait-list controlled trial. A total of 400 eligible families with children aged 8 to 18 years will be recruited, 200 each for families with parental schizophrenia or bipolar disorder. The intervention group will receive Let's Talk About Children delivered by a trained therapist, while the control group will receive treatment as usual. The primary outcomes are child mental health measured by the strengths and difficulties questionnaire and parent-child communication measured using the parent-adolescent communication scale. Parental mental health and family functioning are secondary outcomes. This study also plans to explore mediating factors for the effect of Let's Talk About Children on child mental health, as well as conduct a cost-effectiveness analysis on using Let's Talk About Children in China. CONCLUSION: The present study will provide evidence for the efficacy of Let's Talk About Children in families with parental schizophrenia and bipolar disorder in China. In addition, it will evaluate potential mechanisms of action and cost-effectiveness of Let's Talk About Children, providing a basis for future implementation. TRIAL REGISTRATION: ChiCTR2300073904.


Assuntos
Transtorno Bipolar , Transtornos do Neurodesenvolvimento , Esquizofrenia , Adolescente , Humanos , Transtorno Bipolar/terapia , Esquizofrenia/terapia , Pais/psicologia , Saúde Mental , Ensaios Clínicos Controlados Aleatórios como Assunto , Estudos Multicêntricos como Assunto
4.
Bioinformatics ; 38(10): 2705-2711, 2022 05 13.
Artigo em Inglês | MEDLINE | ID: mdl-35561183

RESUMO

MOTIVATION: Protein structure can be severely disrupted by frameshift and non-sense mutations at specific positions in the protein sequence. Frameshift and non-sense mutation cases can also be found in healthy individuals. A method to distinguish neutral and potentially disease-associated frameshift and non-sense mutations is of practical and fundamental importance. It would allow researchers to rapidly screen out the potentially pathogenic sites from a large number of mutated genes and then use these sites as drug targets to speed up diagnosis and improve access to treatment. The problem of how to distinguish between neutral and potentially disease-associated frameshift and non-sense mutations remains under-researched. RESULTS: We built a Transformer-based neural network model to predict the pathogenicity of frameshift and non-sense mutations on protein features and named it TransPPMP. The feature matrix of contextual sequences computed by the ESM pre-training model, type of mutation residue and the auxiliary features, including structure and function information, are combined as input features, and the focal loss function is designed to solve the sample imbalance problem during the training. In 10-fold cross-validation and independent blind test set, TransPPMP showed good robust performance and absolute advantages in all evaluation metrics compared with four other advanced methods, namely, ENTPRISE-X, VEST-indel, DDIG-in and CADD. In addition, we demonstrate the usefulness of the multi-head attention mechanism in Transformer to predict the pathogenicity of mutations-not only can multiple self-attention heads learn local and global interactions but also functional sites with a large influence on the mutated residue can be captured by attention focus. These could offer useful clues to study the pathogenicity mechanism of human complex diseases for which traditional machine learning methods fall short. AVAILABILITY AND IMPLEMENTATION: TransPPMP is available at https://github.com/lennylv/TransPPMP. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
Mutação da Fase de Leitura , Software , Humanos , Mutação , Redes Neurais de Computação
5.
Bioinformatics ; 38(17): 4070-4077, 2022 09 02.
Artigo em Inglês | MEDLINE | ID: mdl-35809058

RESUMO

MOTIVATION: Histone modifications are epigenetic markers that impact gene expression by altering the chromatin structure or recruiting histone modifiers. Their accurate identification is key to unraveling the mechanisms by which they regulate gene expression. However, the solutions for this task can be improved by exploiting multiple relationships from dataset and exploring designs of learning models, for example jointly learning technology. RESULTS: This article proposes a deep learning-based multi-objective computational approach, iHMnBS, to identify which of the seven typical histone modifications a DNA sequence may choose to bind, and which parts of the DNA sequence bind to them. iHMnBS employs a customized dataset that allows the marking of modifications contained in histones that may bind to any position in the DNA sequence. iHMnBS tries to mine the information implicit in this richer data by means of deep neural networks. In comprehensive comparisons, iHMnBS outperforms a baseline method, and the probability of binding to modified histones assigned to a representative nucleotide of a DNA sequence can serve as a reference for biological experiments. Since the interaction between transcription factors and histone modifications has an important role in gene expression, we extracted a number of sequence patterns that may bind to transcription factors, and explored their possible impact on disease. AVAILABILITY AND IMPLEMENTATION: The source code is available at https://github.com/lennylv/iHMnBS. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
Aprendizado Profundo , Histonas , Histonas/metabolismo , Sequência de Bases , Sítios de Ligação , DNA/química , Fatores de Transcrição/metabolismo
6.
J Chem Inf Model ; 63(7): 2251-2262, 2023 04 10.
Artigo em Inglês | MEDLINE | ID: mdl-36989086

RESUMO

Identifying the binding residues of protein-peptide complexes is essential for understanding protein function mechanisms and exploring drug discovery. Recently, many computational methods have been developed to predict the interaction sites of either protein or peptide. However, to our knowledge, no prediction method can simultaneously identify the interaction sites on both the protein and peptide sides. Here, we propose a deep graph convolutional network (GCN)-based method called GraphPPepIS to predict the interaction sites of protein-peptide complexes using protein and peptide structural information. We also propose a companion method, SeqPPepIS, for assisting with the lack of structural information and the flexibility of peptides. SepPPepIS replaces the peptide structural features in GraphPPepIS by learning features from peptide sequences. We performed a comprehensive evaluation of the benchmark data sets, and the results show that our two methods outperform state-of-the-art methods on the accurate interaction sites of both protein and peptide sides. We show that our methods can help improve protein-peptide docking. For docking data sets, our methods maintain robust performance in identifying binding sites, thereby enhancing the prediction of peptide binding poses. Finally, we visualized the analysis of protein and peptide graph embedding to demonstrate the learning ability of graph convolution in predicting interaction sites, which was mainly obtained through the shared parameters of a protein graph and peptide graph.


Assuntos
Benchmarking , Peptídeos , Sequência de Aminoácidos , Sítios de Ligação , Descoberta de Drogas
7.
J Chem Inf Model ; 63(22): 7258-7271, 2023 Nov 27.
Artigo em Inglês | MEDLINE | ID: mdl-37931253

RESUMO

Phosphorylation, as one of the most important post-translational modifications, plays a key role in various cellular physiological processes and disease occurrences. In recent years, computer technology has been gradually applied to the prediction of protein phosphorylation sites. However, most existing methods rely on simple protein sequence features that provide limited contextual information. To overcome this limitation, we propose DeepMPSF, a phosphorylation site prediction model based on multiple protein sequence features. There are two types of features: sequence semantic features, which comprise protein residue type information and relative position information within protein sequence, and protein background biophysical features, which include global semantic information containing more comprehensive protein background information obtained from pretrained models. To extract these features, DeepMPSF employs two separate subnetworks: the S71SFE module and the BBFE module, which automatically extract high-level semantic features. Our model incorporates a learning strategy for handling imbalanced datasets through ensemble learning during training and prediction. DeepMPSF is trained and evaluated on a well-established dataset of human proteins. Comparing the analysis with other benchmark methods reveals that DeepMPSF outperforms in predicting both S/T residues and Y residues. In particular, DeepMPSF showed excellent generalization performance in cross-species blind test performance, with an average improvement of 5.63%/5.72%, 22.28%/25.94%, 20.11%/17.49%, and 26.40%/28.33% for Mus musculus/Rattus norvegicus test sets in area under curves (AUCs) of ROC curve, AUC of the PR curve, F1-score, and MCC metrics, respectively. Furthermore, it also shows excellent performance in the latest updated case of natural proteins with functional phosphorylation sites. Through an ablation study and visual analysis, we uncover that the design of different feature modules significantly contributes to the accurate classification of DeepMPSF, which provides valuable insights for predicting phosphorylation sites and offers effective support for future downstream research.


Assuntos
Aprendizado Profundo , Camundongos , Animais , Humanos , Ratos , Fosforilação , Proteínas/química , Sequência de Aminoácidos , Processamento de Proteína Pós-Traducional
8.
BMC Psychiatry ; 23(1): 34, 2023 01 13.
Artigo em Inglês | MEDLINE | ID: mdl-36639615

RESUMO

OBJECTIVE: To determine whether adverse childhood experiences (ACEs) of children of alcoholics (COA) in male were associated with their current "risky drinking". METHODS: This case-control study used the Alcohol Use Disorder Identification Test (AUDIT, cutoff is 7) to divide the participants into two groups, a "risky drinking" group (N = 53) and a "non-risky drinking" group (N = 97). Demographic data, Adverse Childhood Experiences-International Questionnaire (ACE-IQ), the Hamilton Anxiety Rating Scale (HAMA), the Hamilton Depression Rating Scale (HAMD) and the Mini-International Neuropsychiatric Interview (MINI) were used for assessment. The specific relationships between ACEs and "risky drinking" were explored. RESULTS: Respondents ranged in age from 29.70 ± 6.72 years; 74.5% were females; 94.7% were of Han nationality; 56.7% had a level of education above high school; 12% had no formal or stable job. There was difference in attitude to self-drinking between two groups (P < 0.001). The "risky drinking" group was more likely to have experienced a major depressive episode (P < 0.05), nonalcohol psychoactive substance use disorder (P < 0.01) and bulimia nervosa (P < 0.05), and they also experienced more physical abuse (P < 0.05), community violence (P < 0.001) and collective violence (P < 0.01). In a single factor logistic regression, physical abuse, community violence and collective violence were associated with a two to 11- fold increase in "risky drinking" in the adult COA, and in multiple factor logistic regression, community violence showed a graded relationship with "risky drinking". CONCLUSION: The childhood adverse experiences contribute to "risky drinking" in COA. This finding in the Chinese context have significant implications for prevention not only in China but in other cultures. There must be greater awareness of the role of ACEs in the perpetuation of alcoholism.


Assuntos
Experiências Adversas da Infância , Alcoolismo , Transtorno Depressivo Maior , Adulto , Criança , Feminino , Humanos , Masculino , Adulto Jovem , Alcoolismo/epidemiologia , Alcoolismo/psicologia , Estudos de Casos e Controles , Violência , Filhos Adultos
9.
J Chem Inf Model ; 62(23): 6258-6270, 2022 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-36449561

RESUMO

Many computational methods have been proposed to predict drug-drug interactions (DDIs), which can occur when combining drugs to treat various diseases, but most mainly utilize single-source features of drugs, which is inadequate for drug representation. To fill this gap, we propose two attention-mechanism-based encoder-decoder models that incorporate multisource information: one is MAEDDI, which can predict DDIs, and the other is MAEDDIE, which can make further DDI-associated event predictions for drug pairs with DDIs. To better express the drug feature, we used three encoding methods to encode the drugs, integrating the self-attention mechanism, cross-attention mechanism, and graph attention network to construct a multisource feature fusion network. Experiments showed that both MAEDDI and MAEDDIE performed better than some state-of-the-art methods in various validation attempts at different experimental tasks. The visualization analysis showed that the semantic features of drug pairs learned from our models had a good drug representation. In practice, MAEDDIE successfully screened 43 DDI events on favipiravir, an influenza antiviral drug, with a success rate of nearly 50%. Our model achieved competitive results, mainly owing to the design of sequence-based, structural, biochemical, and statistical multisource features. Moreover, different encoders constructed based on different features learn the interrelationship information between drug pairs, and the different representations of these drug pairs are incorporated to predict the target problem. All of these encoders were designed to better characterize the complex DDI relationships, allowing us to achieve high generalization in DDI and DDI-associated event predations.


Assuntos
Semântica , Interações Medicamentosas
10.
BMC Health Serv Res ; 21(1): 569, 2021 Jun 09.
Artigo em Inglês | MEDLINE | ID: mdl-34107937

RESUMO

BACKGROUND: Mental disorders impose heavy burdens on patients' families and children. It is imperative to provide family-focused services to avoid adverse effects from mental disorders on patients' families and children. However, implementing such services requires a great deal of involvement of mental health workers. This study investigated the attitudes, knowledge, skills, and practices in respect to family-focused practices (FFP) in a sample of Chinese mental health workers. METHODS: A cross-sectional study design was employed to examine the attitudes, knowledge, skills, and practices of a convenience sample of Chinese mental health workers in respect to FFP, using the Chinese version of the Family-Focused Mental Health Practice Questionnaire (FFMHPQ). RESULTS: In total, 515 mental health workers participated in our study, including 213 psychiatrists, 269 psychiatric nurses, and 34 allied mental health professionals (20 clinical psychologists, 9 mental health social workers, and 4 occupational therapists). Compared with psychiatric nurses, psychiatrists and allied mental health professionals provided more support for families and children of patients with mental illness and were more willing to receive further training in FFP. However, there were no significant differences on knowledge, skills, and confidence across different profession types. After adjusting for demographic and occupational variables, previous training in FFP was positively associated with mental health workers' knowledge, skills, and confidence about FFP, but not actual support to families and children. CONCLUSIONS: Professional differences on FFP exist in Chinese mental health workers. Training is needed to engage psychiatrists and other allied workforce in dissemination and implementation of FFP in China.


Assuntos
Transtornos Mentais , Enfermagem Psiquiátrica , Criança , China , Estudos Transversais , Pessoal de Saúde , Humanos , Transtornos Mentais/terapia , Saúde Mental
11.
Nanotechnology ; 30(11): 115602, 2019 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-30566929

RESUMO

Single-stranded tile (SST) strategy offers precise control over the circumferences of nanotubes while the kinetic trap in the process of the self-assembly prevents the formation of wider tubes. Here, we report a simple and efficient method to build DNA nanotubes using only 2 SSTs via one-pot annealing. The diameters of the 2-SST nanotubes were much larger than what the kinetic trap theory would predict, indicating a new mechanism was at play in the formation of these nanotubes. Further investigation suggested that the 2-SST nanotubes were assembled through a hierarchical pathway that involved an intermediate formation of 2-SST nano-lines.


Assuntos
DNA de Cadeia Simples/química , DNA de Cadeia Simples/síntese química , Nanotubos/química , Nanotecnologia , Nanotubos/ultraestrutura , Conformação de Ácido Nucleico
12.
J Formos Med Assoc ; 113(11): 839-49, 2014 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-25294100

RESUMO

BACKGROUND/PURPOSE: The disability eligibility determination system is based on the International Classification of Functioning, Disability and Health (ICF) framework in Taiwan. The Functioning Disability Evaluation Scale (FUNDES) has been developed since 2007 for assessing the status of an individual's activities and participation in the disability eligibility system. The purpose of this study was to examine the reliability and validity of the FUNDES-Adult Version (FUNDES-Adult). METHODS: During 2011-2012, a total of 5736 adults with disabilities (aged 58.4 ± 18.2 years) were randomly recruited for a national population-based study. These adults were assessed in person by certified professionals in the authorized hospitals. Domains 1-6 of the FUNDES-Adult addressing the performance and capability dimensions are modified from the World Health Organization Disability Assessment Schedule 2.0-36-item version, and Domain 7 (Environmental attribute) and capability and capacity dimensions of Domain 8 (Motor action) are designed based on the ICF coding system. RESULTS: The internal consistency was excellent (Cronbach's α ≥ 0.9). An exploratory factor analysis yielded a five-factor FUNDES structure with a variance of 76.1% and 76.9% and factor loadings of 0.56-0.94 and 0.55-0.94 for the performance and capability dimensions, respectively. The factor loadings for the second-order confirmatory factor analysis for the performance and capability dimensions were from 0.81 to 0.89. In Domains 1-6 and 8, the ceiling effects were from 9% to 36%, and the floor effects were from 5% to 45%. CONCLUSION: FUNDES-Adult has acceptable reliability and validity and can be used to measure activities and participation for people with disabilities.


Assuntos
Avaliação da Deficiência , Pessoas com Deficiência/classificação , Classificação Internacional de Funcionalidade, Incapacidade e Saúde/normas , Atividades Cotidianas , Adulto , Idoso , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Reprodutibilidade dos Testes , Participação Social , Taiwan , Organização Mundial da Saúde
13.
J Prev (2022) ; 2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38839737

RESUMO

COVID-19, a viral infection that emerged in late 2019, induces a severe acute respiratory syndrome marked by significant clinical symptoms, and the potential for progressive respiratory failure and death. People facing the threat of COVID-19 not only feared being infected, but were also worried about the side-effects of vaccination. This conflict affected their epidemic prevention behavior. To understand this issue, the present study explored whether infection anxiety affected the psychological avoidance or approach to getting vaccinated and the intention to take epidemic prevention measures. The study implemented a cross-sectional, web-based survey. We created questionnaires using Surveycake, an online e-form questionnaire platform. We used the snowball sampling method via a social media app to recruit participants. If individuals were willing to participate in the research, we emailed the e-form questionnaire link to them to collect data. After questionnaire collection, 288 questionnaires were returned, and 277 valid questionnaires were obtained for structural equation modeling analysis. According to the statistical results, it was found that infection anxiety was positively related to avoidance-avoidance conflict, and the power of infection anxiety on avoidance conflict was 23.0%. Infection anxiety was negatively related to approach-approach conflict regarding vaccination, and the power of infection anxiety on approach-approach conflict was 22.0%. Approach-approach conflict regarding vaccination was negatively related to prevention behavior, while avoidance-avoidance conflict regarding vaccination was positively related to prevention behavior. The two conflicts explained 12.5% of the total variance in prevention behavior. The study results highlight the long-term importance of achieving vaccine goals in order to prepare for future health emergencies similar to the recent COVID-19 pandemic.

14.
Artigo em Inglês | MEDLINE | ID: mdl-38739505

RESUMO

This study aims to tackle the intricate challenge of predicting RNA-small molecule binding sites to explore the potential value in the field of RNA drug targets. To address this challenge, we propose the MultiModRLBP method, which integrates multi-modal features using deep learning algorithms. These features include 3D structural properties at the nucleotide base level of the RNA molecule, relational graphs based on overall RNA structure, and rich RNA semantic information. In our investigation, we gathered 851 interactions between RNA and small molecule ligand from the RNAglib dataset and RLBind training set. Unlike conventional training sets, this collection broadened its scope by including RNA complexes that have the same RNA sequence but change their respective binding sites due to structural differences or the presence of different ligands. This enhancement enables the MultiModRLBP model to more accurately capture subtle changes at the structural level, ultimately improving its ability to discern nuances among similar RNA conformations. Furthermore, we evaluated MultiModRLBP on two classic test sets, Test18 and Test3, highlighting its performance disparities on small molecules based on metal and non-metal ions. Additionally, we conducted a structural sensitivity analysis on specific complex categories, considering RNA instances with varying degrees of structural changes and whether they share the same ligands. The research results indicate that MultiModRLBP outperforms the current state-of-the-art methods on multiple classic test sets, particularly excelling in predicting binding sites for non-metal ions and instances where the binding sites are widely distributed along the sequence. MultiModRLBP also can be used as a potential tool when the RNA structure is perturbed or the RNA experimental tertiary structure is not available. Most importantly, MultiModRLBP exhibits the capability to distinguish binding characteristics of RNA that are structurally diverse yet exhibit sequence similarity. These advancements hold promise in reducing the costs associated with the development of RNA-targeted drugs.

15.
IEEE/ACM Trans Comput Biol Bioinform ; 20(2): 1594-1599, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-35471887

RESUMO

The binding of DNA sequences to cell type-specific transcription factors is essential for regulating gene expression in all organisms. Many variants occurring in these binding regions play crucial roles in human disease by disrupting the cis-regulation of gene expression. We first implemented a sequence-based deep learning model called deepBICS to quantify the intensity of transcription factors-DNA binding. The experimental results not only showed the superiority of deepBICS on ChIP-seq data sets but also suggested deepBICS as a language model could help the classification of disease-related and neutral variants. We then built a language model-based method called deepBICS4SNV to predict the pathogenicity of single nucleotide variants. The good performance of deepBICS4SNV on 2 tests related to Mendelian disorders and viral diseases shows the sequence contextual information derived from language models can improve prediction accuracy and generalization capability.


Assuntos
Sequenciamento de Cromatina por Imunoprecipitação , Aprendizado Profundo , Humanos , Virulência , Sítios de Ligação/genética , DNA/genética , Fatores de Transcrição/genética , Fatores de Transcrição/metabolismo , Nucleotídeos
16.
Artigo em Inglês | MEDLINE | ID: mdl-35213314

RESUMO

Protein-protein interactions are the basis of many cellular biological processes, such as cellular organization, signal transduction, and immune response. Identifying protein-protein interaction sites is essential for understanding the mechanisms of various biological processes, disease development, and drug design. However, it remains a challenging task to make accurate predictions, as the small amount of training data and severe imbalanced classification reduce the performance of computational methods. We design a deep learning method named ctP2ISP to improve the prediction of protein-protein interaction sites. ctP2ISP employs Convolution and Transformer to extract information and enhance information perception so that semantic features can be mined to identify protein-protein interaction sites. A weighting loss function with different sample weights is designed to suppress the preference of the model toward multi-category prediction. To efficiently reuse the information in the training set, a preprocessing of data augmentation with an improved sample-oriented sampling strategy is applied. The trained ctP2ISP was evaluated against current state-of-the-art methods on six public datasets. The results show that ctP2ISP outperforms all other competing methods on the balance metrics: F1, MCC, and AUPRC. In particular, our prediction on open tests related to viruses may also be consistent with biological insights. The source code and data can be obtained from https://github.com/lennylv/ctP2ISP.


Assuntos
Redes Neurais de Computação , Software , Benchmarking
17.
IEEE/ACM Trans Comput Biol Bioinform ; 20(6): 3623-3634, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37607147

RESUMO

Accurate identification of RNA modification sites is of great significance in understanding the functions and regulatory mechanisms of RNAs. Recent advances have shown great promise in applying computational methods based on deep learning for accurate prediction of RNA modifications. However, those methods generally predicted only a single type of RNA modification. In addition, such methods suffered from the scarcity of the interpretability for their predicted results. In this work, a new Transformer-based deep learning method was proposed to predict multiple RNA modifications simultaneously, referred to as TransRNAm. More specifically, TransRNAm employs Transformer to extract contextual feature and convolutional neural networks to further learn high-latent feature representations of RNA sequences relevant for RNA modifications. Importantly, by integrating the self-attention mechanism in Transformer with convolutional neural network, TransRNAm is capable of not only capturing the critical nucleotide sites that contribute significantly to RNA modification prediction, but also revealing the underlying association among different types of RNA modifications. Consequently, this work provided an accurate and interpretable predictor for multiple RNA modification prediction, which may contribute to uncovering the sequence-based forming mechanism of RNA modification sites.


Assuntos
Aprendizado Profundo , Redes Neurais de Computação , Nucleotídeos , RNA/genética
18.
IEEE/ACM Trans Comput Biol Bioinform ; 20(3): 2089-2100, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37018301

RESUMO

Effectively and accurately predicting the effects of interactions between proteins after amino acid mutations is a key issue for understanding the mechanism of protein function and drug design. In this study, we present a deep graph convolution (DGC) network-based framework, DGCddG, to predict the changes of protein-protein binding affinity after mutation. DGCddG incorporates multi-layer graph convolution to extract a deep, contextualized representation for each residue of the protein complex structure. The mined channels of the mutation sites by DGC is then fitted to the binding affinity with a multi-layer perceptron. Experiments with results on multiple datasets show that our model can achieve relatively good performance for both single and multi-point mutations. For blind tests on datasets related to angiotensin-converting enzyme 2 binding with the SARS-CoV-2 virus, our method shows better results in predicting ACE2 changes, may help in finding favorable antibodies. Code and data availability: https://github.com/lennylv/DGCddG.


Assuntos
COVID-19 , Humanos , Ligação Proteica/genética , COVID-19/genética , SARS-CoV-2/genética , Mutação/genética , Mutação Puntual
19.
J Psychiatr Ment Health Nurs ; 30(6): 1216-1230, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37401449

RESUMO

INTRODUCTION: Family-focused practice has become an emerging paradigm in mental health services. However, little is known about family-focused practice and associated factors in Chinese mental health workers. AIM: To examine family-focused practice and associated factors in Chinese mental health workers. METHOD: A cross-sectional survey was conducted in a convenience sample of mental health workers (n = 515) in Beijing, China. The Family-Focused Mental Health Practice Questionnaire was used to measure family-focused practice, as well as worker, workplace and client factors that might influence family-focused practice. Multiple linear regression analysis was performed to investigate the factors associated with family-focused practice. RESULTS: On average, the participants exhibited a moderate level of engagement in family-focused practice. The factors that most significantly influenced family-focused practice in Chinese mental health workers were skill and knowledge, worker confidence and time and workload. Moreover, psychiatrists were found to engage more in family-focused practice than psychiatric nurses, and community mental health workers were more active in family-focused practice than hospital-based ones. DISCUSSION: This study provided important data concerning family-focused practice and associated factors in Chinese mental health workers. IMPLICATIONS FOR PRACTICE: The varying level of Chinese mental health workers to engage in family-focused practice has advocacy, training, research and organizational implications for mental health services in China and elsewhere.


Assuntos
Transtornos Mentais , Serviços de Saúde Mental , Humanos , Saúde Mental , Estudos Transversais , Transtornos Mentais/psicologia , População do Leste Asiático
20.
Int J Neural Syst ; 32(8): 2250037, 2022 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-35848458

RESUMO

Spiking neural P systems (abbreviated as SNP systems) are models of computation that mimic the behavior of biological neurons. The spiking neural P systems with communication on request (abbreviated as SNQP systems) are a recently developed class of SNP system, where a neuron actively requests spikes from the neighboring neurons instead of passively receiving spikes. It is already known that small SNQP systems, with four unbounded neurons, can achieve Turing universality. In this context, 'unbounded' means that the number of spikes in a neuron is not capped. This work investigates the dependency of the number of unbounded neurons on the computation capability of SNQP systems. Specifically, we prove that (1) SNQP systems composed entirely of bounded neurons can characterize the family of finite sets of numbers; (2) SNQP systems containing two unbounded neurons are capable of generating the family of semilinear sets of numbers; (3) SNQP systems containing three unbounded neurons are capable of generating nonsemilinear sets of numbers. Moreover, it is obtained in a constructive way that SNQP systems with two unbounded neurons compute the operations of Boolean logic gates, i.e., OR, AND, NOT, and XOR gates. These theoretical findings demonstrate that the number of unbounded neurons is a key parameter that influences the computation capability of SNQP systems.


Assuntos
Redes Neurais de Computação , Neurônios , Potenciais de Ação/fisiologia , Modelos Neurológicos , Neurônios/fisiologia
SELEÇÃO DE REFERÊNCIAS
Detalhe da pesquisa