Detalhe da pesquisa
1.
StarPep Toolbox: an open-source software to assist chemical space analysis of bioactive peptides and their functions using complex networks.
Bioinformatics
; 39(8)2023 08 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37603724
2.
Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence.
Chem Res Toxicol
; 37(4): 580-589, 2024 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38501392
3.
Rethinking the applicability domain analysis in QSAR models.
J Comput Aided Mol Des
; 38(1): 9, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38351144
4.
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases.
Mol Divers
; 26(3): 1383-1397, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-34216326
5.
Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding.
J Comput Chem
; 41(3): 203-217, 2020 01 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31647589
6.
Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra.
J Comput Chem
; 41(12): 1209-1227, 2020 05 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32058625
7.
Graph-based data integration from bioactive peptide databases of pharmaceutical interest: toward an organized collection enabling visual network analysis.
Bioinformatics
; 35(22): 4739-4747, 2019 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30994884
8.
Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches.
Chem Res Toxicol
; 33(7): 1855-1873, 2020 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32406679
9.
LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs.
J Theor Biol
; 485: 110039, 2020 01 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31589877
10.
MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors.
J Chem Inf Model
; 60(2): 1042-1059, 2020 02 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31663741
11.
When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?
Mol Divers
; 24(4): 913-932, 2020 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-31659696
12.
Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes.
Chem Res Toxicol
; 32(6): 1178-1192, 2019 06 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31066547
13.
Novel "extended sequons" of human N-glycosylation sites improve the precision of qualitative predictions: an alignment-free study of pattern recognition using ProtDCal protein features.
Amino Acids
; 49(2): 317-325, 2017 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-27896447
14.
Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.
Bioinformatics
; 31(15): 2553-9, 2015 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-25819673
15.
A new type of quinoxalinone derivatives affects viability, invasion, and intracellular growth of Toxoplasma gondii tachyzoites in vitro.
Parasitol Res
; 115(5): 2081-96, 2016 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-26888289
16.
Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms.
Int J Mol Sci
; 17(6)2016 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-27240357
17.
ProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins.
BMC Bioinformatics
; 16: 162, 2015 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25982853
18.
Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes.
J Theor Biol
; 374: 125-37, 2015 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25843214
19.
A Hooke׳s law-based approach to protein folding rate.
J Theor Biol
; 364: 407-17, 2015 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25245368
20.
IMMAN: free software for information theory-based chemometric analysis.
Mol Divers
; 19(2): 305-19, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25620721