The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction

by Yuchen Li, Yalong Cong, Guoqiang Feng, Susu Zhong, John Z. H. Zhang, Huiyong Sun, Lili Duan
Published 2018-11-01

Insight Into the Binding Mechanism of p53/pDIQ-MDMX/MDM2 With the Interaction Entropy Method

by Mengxin Li, Yalong Cong, Yuchen Li, Susu Zhong, Ran Wang, Hao Li, Hao Li, Lili Duan
Published 2019-01-01

Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water

by Lili Duan, Xiaona Guo, Yalong Cong, Guoqiang Feng, Yuchen Li, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2019-08-01

Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field

by Yalong Cong, Yuchen Li, Kun Jin, Susu Zhong, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, Hao Li, Hao Li, Lili Duan
Published 2018-08-01

Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective

by Ran Wang, Yalong Cong, Mengxin Li, Jinxiao Bao, Yifei Qi, Yifei Qi, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang
Published 2020-04-01