Hybrid Molecular Dynamics for Elucidating Cooperativity Between Halogen Bond and Water Molecules During the Interaction of p53-Y220C and the PhiKan5196 Complex.

Dong, Tian-Ge; Peng, Hui; He, Xue-Feng; Wang, Xiaocong; Gao, Jun

Dong, Tian-Ge; Peng, Hui; He, Xue-Feng; Wang, Xiaocong; Gao, Jun.

Afiliação

Dong TG; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, China.
Peng H; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, China.
He XF; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, China.
Wang X; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, China.
Gao J; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, China.

Front Chem ; 8: 344, 2020.

Article em En | MEDLINE | ID: mdl-32457871