Conformational transitions of caspase-6 in substrate-induced activation process explored by perturbation-response scanning combined with targeted molecular dynamics

by Shuheng Huang, Hu Mei, Laichun Lu, Zuyin Kuang, Yu Heng, Lei Xu, Xiaoqi Liang, Minyao Qiu, Xianchao Pan
Published 2021-01-01

In Silico Prediction of the Dissociation Rate Constants of Small Chemical Ligands by 3D-Grid-Based VolSurf Method

by Shuheng Huang, Linxin Chen, Hu Mei, Duo Zhang, Tingting Shi, Zuyin Kuang, Yu Heng, Lei Xu, Xianchao Pan
Published 2020-04-01