Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility.

Masters, Matthew R; Mahmoud, Amr H; Wei, Yao; Lill, Markus A

Masters, Matthew R; Mahmoud, Amr H; Wei, Yao; Lill, Markus A.

Afiliación

Masters MR; Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel, Switzerland.
Mahmoud AH; Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel, Switzerland.
Wei Y; Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel, Switzerland.
Lill MA; Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel, Switzerland.

J Chem Inf Model ; 63(6): 1695-1707, 2023 03 27.

Article en En | MEDLINE | ID: mdl-36916514

Asunto(s)

Aprendizaje Profundo; Programas Informáticos; Ligandos; Unión Proteica; Proteínas/química; Algoritmos; Simulación del Acoplamiento Molecular

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Programas Informáticos / Aprendizaje Profundo Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Suiza

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