Detalhe da pesquisa
1.
Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc Natl Acad Sci U S A
; 120(18): e2216342120, 2023 05 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-37098070
2.
Application of AlphaFold models in evaluating ligandable cysteines across E3 ligases.
Proteins
; 92(7): 819-829, 2024 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-38337153
3.
Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg Med Chem Lett
; 96: 129492, 2023 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37778428
4.
A computational approach yields selective inhibitors of human excitatory amino acid transporter 2 (EAAT2).
J Biol Chem
; 295(13): 4359-4366, 2020 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32079674
5.
Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J Chem Inf Model
; 59(5): 2046-2062, 2019 05 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30817167
6.
Dynamic Structural Differences between Human and Mouse STING Lead to Differing Sensitivity to DMXAA.
Biophys J
; 114(1): 32-39, 2018 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29320694
7.
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J Chem Inf Model
; 56(6): 1022-31, 2016 06 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-26419257
8.
CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.
J Chem Inf Model
; 56(6): 1063-77, 2016 06 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-27149958
9.
CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric series.
J Chem Inf Model
; 53(8): 1853-70, 2013 Aug 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-23548044
10.
CSAR data set release 2012: ligands, affinities, complexes, and docking decoys.
J Chem Inf Model
; 53(8): 1842-52, 2013 Aug 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-23617227
11.
Overcoming sequence misalignments with weighted structural superposition.
Proteins
; 80(11): 2523-35, 2012 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-22733542
12.
Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery.
J Med Chem
; 63(5): 1929-1936, 2020 03 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31913036
13.
A Prospective Virtual Screening Study: Enriching Hit Rates and Designing Focus Libraries To Find Inhibitors of PI3Kδ and PI3Kγ.
J Med Chem
; 59(9): 4302-13, 2016 05 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27043133