More is simpler: Decomposition of ligand-binding affinity for proteins being disordered.

Wang, Xiaohui; Chong, Bin; Sun, Zhaoxi; Ruan, Hao; Yang, Yingguang; Song, Pengbo; Liu, Zhirong

Wang, Xiaohui; Chong, Bin; Sun, Zhaoxi; Ruan, Hao; Yang, Yingguang; Song, Pengbo; Liu, Zhirong.

Afiliação

Wang X; College of Chemistry and Molecular Engineering, and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing, China.
Chong B; School of Economics and Management, Tsinghua University, Beijing, China.
Sun Z; College of Chemistry and Molecular Engineering, and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing, China.
Ruan H; College of Chemistry and Molecular Engineering, and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing, China.
Yang Y; School of Cyberscience, University of Science and Technology of China, Hefei, China.
Song P; College of Chemistry and Molecular Engineering, and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing, China.
Liu Z; College of Chemistry and Molecular Engineering, and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing, China.

Protein Sci ; 31(7): e4375, 2022 07.

Article em En | MEDLINE | ID: mdl-35762723

Assuntos

Proteínas Intrinsicamente Desordenadas; Proteínas Intrinsicamente Desordenadas/química; Ligantes; Ligação Proteica

Palavras-chave

affinity; druggability; druglikeness; intrinsically disordered proteins; leadlikeness; ligandability; molecular docking; specificity; virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article