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1.
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa.
Bioorg Chem
; 109: 104745, 2021 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33640629
2.
Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.
Int J Mol Sci
; 22(21)2021 Oct 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-34768951
3.
Gene Prioritization through Consensus Strategy, Enrichment Methodologies Analysis, and Networking for Osteosarcoma Pathogenesis.
Int J Mol Sci
; 21(3)2020 Feb 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-32033398
4.
Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 Mpro Protease.
Molecules
; 25(21)2020 Nov 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33172092
5.
PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms.
J Proteome Res
; 18(7): 2735-2746, 2019 07 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31081631
6.
Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays.
Chem Res Toxicol
; 32(9): 1811-1823, 2019 09 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-31327231
7.
Improvement of Epitope Prediction Using Peptide Sequence Descriptors and Machine Learning.
Int J Mol Sci
; 20(18)2019 Sep 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31491969
8.
Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants.
J Chem Inf Model
; 57(5): 1029-1044, 2017 05 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-28414908
9.
Classification of signaling proteins based on molecular star graph descriptors using Machine Learning models.
J Theor Biol
; 384: 50-8, 2015 Nov 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26297890
10.
Solvent accessible surface area-based hot-spot detection methods for protein-protein and protein-nucleic acid interfaces.
J Chem Inf Model
; 55(5): 1077-86, 2015 May 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-25845030
11.
Markov mean properties for cell death-related protein classification.
J Theor Biol
; 349: 12-21, 2014 May 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-24491256
12.
Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors.
J Chem Inf Model
; 54(1): 16-29, 2014 Jan 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-24320872
13.
ANN multiscale model of anti-HIV drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks.
J Chem Inf Model
; 54(3): 744-55, 2014 Mar 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-24521170
14.
Prediction of compound-target interaction using several artificial intelligence algorithms and comparison with a consensus-based strategy.
J Cheminform
; 16(1): 27, 2024 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-38449058
15.
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products.
J Cheminform
; 16(1): 9, 2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38254200
16.
He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces.
J Phys Chem A
; 117(18): 3835-43, 2013 May 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-23617631
17.
New Markov-Shannon Entropy models to assess connectivity quality in complex networks: from molecular to cellular pathway, Parasite-Host, Neural, Industry, and Legal-Social networks.
J Theor Biol
; 293: 174-88, 2012 Jan 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-22037044
18.
MIND-BEST: Web server for drugs and target discovery; design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from Trichomonas gallinae.
J Proteome Res
; 10(4): 1698-718, 2011 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21184613
19.
Amino acid pair- and triplet-wise groupings in the interior of α-helical segments in proteins.
J Theor Biol
; 271(1): 136-44, 2011 Feb 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-21130100
20.
NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum.
J Theor Biol
; 276(1): 229-49, 2011 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-21277861