Search

4 results in Authors: Shuai-Shuai Fang

Biological and Medicinal Chemistry

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

Junjie Zou, Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan, Zhixiong Lin, Tai-Sung Lee, Daniel Raleigh, Mingjun Yang, Carlos Simmerling

Version 1 posted 04 March 2021

586

Downloads

1

Citations

Biological and Medicinal Chemistry

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Junjie Zou, Chunwang Peng, Shuai Liu, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang

Version 1 posted 16 October 2020

1,142

Downloads

1

Citations

Organic Chemistry

Enantioselective Nickel-Catalyzed Reductive Decarboxylative C(sp3)-C(sp2) Cross-Coupling of Malonic Acid Derivatives

Jia-Bao Wang, Shuai-Shuai Fang, Yu Shen, Xiao-Ting Liu, Ming-Hong Li, Ming Shang

Version 1 posted 11 May 2023

1,021

Downloads

Physical Chemistry

Effect of excitonic coupling and disorder on nonradiative decay of molecular aggregates: a TD-DMRG study

Zhao Zhang, Yijia Wang, Xiaoyan Zheng, Jiajun Ren, Zhigang Shuai, Weihai Fang

Version 1 posted 07 April 2025

55

Downloads