Detalhe da pesquisa
1.
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.
J Chem Inf Model
; 63(10): 2960-2974, 2023 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37166179
2.
Ribosome occupancy profiles are conserved between structurally and evolutionarily related yeast domains.
Bioinformatics
; 37(13): 1853-1859, 2021 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-33483722
3.
Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures.
J Cheminform
; 16(1): 32, 2024 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38486231
4.
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science
; 382(6671): eabo7201, 2023 11 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37943932
5.
Fragment Libraries Designed to Be Functionally Diverse Recover Protein Binding Information More Efficiently Than Standard Structurally Diverse Libraries.
J Med Chem
; 65(16): 11404-11413, 2022 08 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35960886
6.
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun
; 11(1): 5047, 2020 10 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33028810