Turning high-throughput structural biology into predictive inhibitor design.

Saar, Kadi L; McCorkindale, William; Fearon, Daren; Boby, Melissa; Barr, Haim; Ben-Shmuel, Amir; London, Nir; von Delft, Frank; Chodera, John D; Lee, Alpha A

Saar, Kadi L; McCorkindale, William; Fearon, Daren; Boby, Melissa; Barr, Haim; Ben-Shmuel, Amir; London, Nir; von Delft, Frank; Chodera, John D; Lee, Alpha A.

Afiliação

Saar KL; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK.
McCorkindale W; Cavendish Laboratory, Department of Physics, University of Cambridge, Cambridge CB3 0HE, UK.
Fearon D; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK.
Boby M; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, UK.
Barr H; Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065.
Ben-Shmuel A; Wohl Institute for Drug Discovery of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, The Weizmann Institute of Science, Rehovot 7610001, Israel.
von Delft F; Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot 76100, Israel.
Chodera JD; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, UK.
Lee AA; Old Road Campus Research Build, Roosevelt Dr, Headington, Oxford OX3 7DQ, UK.

Proc Natl Acad Sci U S A ; 120(11): e2214168120, 2023 03 14.

Article em En | MEDLINE | ID: mdl-36877844

Assuntos

COVID-19; Humanos; Ligantes; SARS-CoV-2; Antivirais; Biologia

Palavras-chave

crystallography; drug design; machine learning

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google