MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands.

Parui, Sridip; Robertson, James C; Somani, Sandeep; Tresadern, Gary; Liu, Cong; Dill, Ken A

Parui, Sridip; Robertson, James C; Somani, Sandeep; Tresadern, Gary; Liu, Cong; Dill, Ken A.

Afiliação

Parui S; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
Robertson JC; Janssen Research and Development, Spring House, Pennsylvania 19477, United States.
Somani S; Janssen Research and Development, Spring House, Pennsylvania 19477, United States.
Tresadern G; Janssen Research and Development, Turnhoutseweg 30, Beerse B-2340, Belgium.
Liu C; Center for the Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, Massachusetts 02142, United States.
Dill KA; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.

J Chem Inf Model ; 63(9): 2857-2865, 2023 05 08.

Article em En | MEDLINE | ID: mdl-37093848

Assuntos

Simulação de Dinâmica Molecular; Proteínas; Ligação Proteica; Teorema de Bayes; Proteínas/química; Ligantes

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas / Simulação de Dinâmica Molecular Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google