Detalhe da pesquisa
1.
Repurposing Navitoclax to block SARS-CoV-2 fusion and entry by targeting heptapeptide repeat sequence 1 in S2 protein.
J Med Virol
; 95(10): e29145, 2023 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37804480
2.
AI-Driven De Novo Design and Molecular Modeling for Discovery of Small-Molecule Compounds as Potential Drug Candidates Targeting SARS-CoV-2 Main Protease.
Int J Mol Sci
; 24(9)2023 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37175788
3.
Gene ontology improves template selection in comparative protein docking.
Proteins
; 87(3): 245-253, 2019 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30520123
4.
Simulated unbound structures for benchmarking of protein docking in the DOCKGROUND resource.
BMC Bioinformatics
; 16: 243, 2015 Jul 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-26227548
5.
Structural templates for comparative protein docking.
Proteins
; 83(9): 1563-70, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-25488330
6.
Protein models docking benchmark 2.
Proteins
; 83(5): 891-7, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25712716
7.
Protein models: the Grand Challenge of protein docking.
Proteins
; 82(2): 278-87, 2014 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-23934791
8.
Virtual screening and identification of promising therapeutic compounds against drug-resistant Mycobacterium tuberculosis ß-ketoacyl-acyl carrier protein synthase I (KasA).
J Biomol Struct Dyn
; : 1-13, 2023 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38088766
9.
Correlation analysis of the side-chains conformational distribution in bound and unbound proteins.
BMC Bioinformatics
; 13: 236, 2012 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-22984947
10.
Rotamer libraries and probabilities of transition between rotamers for the side chains in protein-protein binding.
Proteins
; 80(8): 2089-98, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22544766
11.
Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.
J Biomol Struct Dyn
; 40(16): 7555-7573, 2022 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33855929
12.
Discovery of novel promising targets for anti-AIDS drug developments by computer modeling: application to the HIV-1 gp120 V3 loop.
J Chem Inf Model
; 51(10): 2760-7, 2011 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-21888425
13.
Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.
J Biomol Struct Dyn
; 39(15): 5779-5791, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32662333
14.
Structural motifs in protein cores and at protein-protein interfaces are different.
Protein Sci
; 30(2): 381-390, 2021 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33166001
15.
Genome-Wide Analysis of MDR and XDR Tuberculosis from Belarus: Machine-Learning Approach.
IEEE/ACM Trans Comput Biol Bioinform
; 16(4): 1398-1408, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-28678713
16.
In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4.
Viruses
; 11(8)2019 08 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31412617
17.
Potential HIV-1 fusion inhibitors mimicking gp41-specific broadly neutralizing antibody 10E8: In silico discovery and prediction of antiviral potency.
J Bioinform Comput Biol
; 16(2): 1840007, 2018 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29439644
18.
Computational identification of novel entry inhibitor scaffolds mimicking primary receptor CD4 of HIV-1 gp120.
J Mol Model
; 23(1): 18, 2017 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-28050723
19.
Computational discovery of novel HIV-1 entry inhibitors based on potent and broad neutralizing antibody VRC01.
J Mol Graph Model
; 61: 262-71, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-26298811
20.
In silico design of novel broad anti-HIV-1 agents based on glycosphingolipid ß-galactosylceramide, a high-affinity receptor for the envelope gp120 V3 loop.
J Biomol Struct Dyn
; 33(5): 1051-66, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-24942968