Detalles de la búsqueda
1.
Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors.
Brief Bioinform;
24(1)2023 01 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-36573494
2.
A chemoinformatic analysis on natural glycosides with respect to biological origin and structural class.
Nat Prod Rep;
40(9): 1464-1478, 2023 09 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-37070562
3.
Binding Mechanism of CD47 with SIRPα Variants and Its Antibody: Elucidated by Molecular Dynamics Simulations.
Molecules;
28(12)2023 Jun 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-37375166
4.
EnMCB: an R/bioconductor package for predicting disease progression based on methylation correlated blocks using ensemble models.
Bioinformatics;
37(22): 4282-4284, 2021 11 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-34050729
5.
Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study.
Bioorg Chem;
106: 104503, 2021 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-33280834
6.
Novel C7-Substituted Coumarins as Selective Monoamine Oxidase Inhibitors: Discovery, Synthesis and Theoretical Simulation.
Molecules;
24(21)2019 Nov 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31694262
7.
Integrating Multifaceted Information to Predict Mycobacterium tuberculosis-Human Protein-Protein Interactions.
J Proteome Res;
17(11): 3810-3823, 2018 11 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-30269499
8.
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products.
J Chem Inf Model;
58(6): 1182-1193, 2018 06 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-29792805
9.
Theoretical Calculation and Experimental Verification Demonstrated the Impossibility of Finding Haptens Identifying Triphenylmethane Dyes and Their Leuco Metabolites Simultaneously.
Molecules;
23(3)2018 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29543738
10.
Structural Transformation Detection Contributes to Screening of Behaviorally Active Compounds: Dynamic Binding Process Analysis of DhelOBP21 from Dastarcus helophoroides.
J Chem Ecol;
43(11-12): 1033-1045, 2017 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-29063475
11.
Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors.
Molecules;
21(11)2016 Nov 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-27869685
12.
Anti-inflammatory terpenes from flowers of Inula japonica.
Planta Med;
80(7): 583-9, 2014 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-24710901
13.
[Growth and photosynthetic characteristics of Ardisia corymbifera var. tuberifera in bionic wild cultivation].
Zhong Yao Cai;
37(10): 1721-4, 2014 Oct.
Artículo
en Zh
| MEDLINE | ID: mdl-25895374
14.
Conformational plasticity of SpyCas9 induced by AcrIIA4 and AcrIIA2: Insights from molecular dynamics simulation.
Comput Struct Biotechnol J;
23: 537-548, 2024 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-38235361
15.
A terpenoids database with the chemical content as a novel agronomic trait.
Database (Oxford);
20242024 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-38776380
16.
The impact of oxygen on metabolic evolution: a chemoinformatic investigation.
PLoS Comput Biol;
8(3): e1002426, 2012.
Artículo
en Inglés
| MEDLINE | ID: mdl-22438800
17.
Exploring the biologically relevant chemical space for drug discovery.
J Chem Inf Model;
53(11): 2820-8, 2013 Nov 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-24125686
18.
Sequence variety in the CC' loop of Siglec-8/9/3 determines the recognitions to sulfated oligosaccharides.
Comput Struct Biotechnol J;
21: 4159-4171, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37675287
19.
Yin/Yang associated differential responses to Psoralea corylifolia Linn. In rat models: an integrated metabolomics and transcriptomics study.
Chin Med;
18(1): 102, 2023 Aug 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-37592331
20.
Chemical basis of metabolic network organization.
PLoS Comput Biol;
7(10): e1002214, 2011 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-22022254