Structure-based drug design with geometric deep learning.

Isert, Clemens; Atz, Kenneth; Schneider, Gisbert

Isert, Clemens; Atz, Kenneth; Schneider, Gisbert.

Afiliação

Isert C; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, Zurich, 8093, Switzerland.
Atz K; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, Zurich, 8093, Switzerland.
Schneider G; ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, Zurich, 8093, Switzerland; ETH Singapore SEC Ltd, 1 CREATE Way, #06-01 CREATE Tower, Singapore, 8093, Singapore. Electronic address: gisbert@ethz.ch.

Curr Opin Struct Biol ; 79: 102548, 2023 04.

Article em En | MEDLINE | ID: mdl-36842415

Assuntos

Aprendizado Profundo; Desenho de Fármacos; Redes Neurais de Computação; Descoberta de Drogas/métodos; Aprendizado de Máquina; Ligantes

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Aprendizado Profundo Tipo de estudo: Prognostic_studies Idioma: En Revista: Curr Opin Struct Biol Ano de publicação: 2023 Tipo de documento: Article

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