CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction.

Wang, Xun; Liu, Dayan; Zhu, Jinfu; Rodriguez-Paton, Alfonso; Song, Tao

Wang, Xun; Liu, Dayan; Zhu, Jinfu; Rodriguez-Paton, Alfonso; Song, Tao.

Afiliação

Wang X; College of Computer Science and Technology, China University of Petroleum, Qingdao 266580, China.
Liu D; High Performance Computer Research Center, Institute of Computer Technology, Chinese Academy of Sciences, Beijing 100190, China.
Zhu J; College of Computer Science and Technology, China University of Petroleum, Qingdao 266580, China.
Rodriguez-Paton A; School of Economics, Beijing Technology and Business University, Beijing 100048, China.
Song T; Department of Artificial Intelligence, Faculty of Computer Science, Polytechnical University of Madrid, Campus de Montegancedo, 28660 Madrid, Spain.

Biomolecules ; 11(5)2021 04 27.

Article em En | MEDLINE | ID: mdl-33925310

Assuntos

Previsões/métodos; Redes Neurais de Computação; Ligação Proteica/fisiologia; Sequência de Aminoácidos/fisiologia; Aprendizado Profundo; Descoberta de Drogas/métodos; Reposicionamento de Medicamentos/métodos; Ligantes; Proteínas/química

Palavras-chave

2-D structural CNN; protein-ligand binding affinity; spatial attention mechanism

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Ligação Proteica / Redes Neurais de Computação / Previsões Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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