Detalhe da pesquisa
1.
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites.
J Chem Inf Model
; 64(6): 2084-2100, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38456842
2.
Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2.
J Chem Inf Model
; 64(3): 960-973, 2024 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38253327
3.
Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interface.
J Comput Aided Mol Des
; 38(1): 6, 2024 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38263499
4.
An Antipersister Strategy for Treatment of Chronic Pseudomonas aeruginosa Infections.
Antimicrob Agents Chemother
; 61(12)2017 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-28923873
5.
Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP.
J Chem Inf Model
; 55(8): 1552-65, 2015 Aug 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-26176600
6.
Ensemble-based docking using biased molecular dynamics.
J Chem Inf Model
; 54(7): 2127-38, 2014 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24881672
7.
Fragment-based lead discovery and design.
J Chem Inf Model
; 54(3): 693-704, 2014 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24490951
8.
Computational identification of antibody-binding epitopes from mimotope datasets.
Front Bioinform
; 4: 1295972, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38463209
9.
Automating biomedical literature review for rapid drug discovery: Leveraging GPT-4 to expedite pandemic response.
Int J Med Inform
; 189: 105500, 2024 May 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38815316
10.
Machine learning for the identification of respiratory viral attachment machinery from sequences data.
PLoS One
; 18(3): e0281642, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36862685
11.
Vaccines Alone Cannot Slow the Evolution of SARS-CoV-2.
Vaccines (Basel)
; 11(4)2023 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37112765
12.
Virtual fragment screening: exploration of MM-PBSA re-scoring.
J Comput Aided Mol Des
; 26(8): 921-34, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22869295
13.
No magic bullet: Limiting in-school transmission in the face of variable SARS-CoV-2 viral loads.
Front Public Health
; 10: 941773, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36530725
14.
Rapid relaxation of pandemic restrictions after vaccine rollout favors growth of SARS-CoV-2 variants: A model-based analysis.
PLoS One
; 16(11): e0258997, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34818335
15.
Controlling long-term SARS-CoV-2 infections can slow viral evolution and reduce the risk of treatment failure.
Sci Rep
; 11(1): 22630, 2021 11 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34799659
16.
Risk of rapid evolutionary escape from biomedical interventions targeting SARS-CoV-2 spike protein.
PLoS One
; 16(4): e0250780, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33909660
17.
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide.
J Comput Aided Mol Des
; 23(8): 527-39, 2009 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-19495993
18.
Lead optimization via high-throughput molecular docking.
Curr Opin Drug Discov Devel
; 10(3): 264-74, 2007 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-17554852
19.
Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J Med Chem
; 50(19): 4681-98, 2007 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-17705360
20.
Inhibitors of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor alpha (TNF-alpha) production: selectivity and in vivo antiinflammatory activity of novel 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles.
J Med Chem
; 50(19): 4728-45, 2007 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-17715908