Enhanced compound-protein binding affinity prediction by representing protein multimodal information via a coevolutionary strategy.

Guo, Binjie; Zheng, Hanyu; Jiang, Haohan; Li, Xiaodan; Guan, Naiyu; Zuo, Yanming; Zhang, Yicheng; Yang, Hengfu; Wang, Xuhua

Guo, Binjie; Zheng, Hanyu; Jiang, Haohan; Li, Xiaodan; Guan, Naiyu; Zuo, Yanming; Zhang, Yicheng; Yang, Hengfu; Wang, Xuhua.

Afiliação

Guo B; Department of Neurobiology and Department of Rehabilitation Medicine, First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou, Zhejiang Province 310058, China.
Zheng H; Liangzhu Laboratory, MOE Frontier Science Center for Brain Science and Brain-machine Integration, State Key Laboratory of Brain-machine Intelligence, Zhejiang University, 1369 West Wenyi Road, Hangzhou 311121, China.
Jiang H; NHC and CAMS Key Laboratory of Medical Neurobiology, Zhejiang University, Hangzhou 310058, China.
Li X; Department of Neurobiology and Department of Rehabilitation Medicine, First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou, Zhejiang Province 310058, China.
Guan N; Liangzhu Laboratory, MOE Frontier Science Center for Brain Science and Brain-machine Integration, State Key Laboratory of Brain-machine Intelligence, Zhejiang University, 1369 West Wenyi Road, Hangzhou 311121, China.
Zuo Y; NHC and CAMS Key Laboratory of Medical Neurobiology, Zhejiang University, Hangzhou 310058, China.
Zhang Y; Department of Neurobiology and Department of Rehabilitation Medicine, First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou, Zhejiang Province 310058, China.
Yang H; Liangzhu Laboratory, MOE Frontier Science Center for Brain Science and Brain-machine Integration, State Key Laboratory of Brain-machine Intelligence, Zhejiang University, 1369 West Wenyi Road, Hangzhou 311121, China.
Wang X; NHC and CAMS Key Laboratory of Medical Neurobiology, Zhejiang University, Hangzhou 310058, China.

Brief Bioinform ; 24(2)2023 03 19.

Article em En | MEDLINE | ID: mdl-36682005

Assuntos

Aprendizado de Máquina; Proteínas; Ligação Proteica; Proteínas/química; Modelos Teóricos

Palavras-chave

artificial intelligence; coevolutionary strategy; compound-protein binding affinity prediction; computational model; protein 3D structure; protein multimodal information

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas / Aprendizado de Máquina Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Brief Bioinform Assunto da revista: BIOLOGIA / INFORMATICA MEDICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: China

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