Challenges, Applications, and Recent Advances of Protein-Ligand Docking in Structure-Based Drug Design

af Grinter, Sam Z., Zou, Xiaoqin
Udgivet i Molecules (2014)

Multiscale generalized Born modeling of ligand binding energies for virtual database screening

af Liu, Hao-Yang, Grinter, Sam Z., Zou, Xiaoqin
Udgivet 2009

Automated large-scale file preparation, docking, and scoring: Evaluation of ITScore and STScore using the 2012 Community Structure-Activity Resource Benchmark

af Grinter, Sam Z., Yan, Chengfei, Huang, Sheng-You, Jiang, Lin, Zou, Xiaoqin
Udgivet 2013

Iterative Knowledge-based Scoring Functions Derived from Rigid and Flexible Decoy Structures: Evaluation with the 2013 and 2014 CSAR Benchmarks

af Yan, Chengfei, Grinter, Sam Z., Merideth, Benjamin Ryan, Ma, Zhiwei, Zou, Xiaoqin
Udgivet i J Chem Inf Model (2015)

An inverse docking approach for identifying new potential anti-cancer targets

af Grinter, Sam Z., Liang, Yayun, Huang, Sheng-You, Hyder, Salman M., Zou, Xiaoqin
Udgivet 2011

Performance of MDockPP in CAPRI Rounds 28–29 and 31–35 including the prediction of water-mediated interactions

af Xu, Xianjin, Qiu, Liming, Yan, Chengfei, Ma, Zhiwei, Grinter, Sam Z., Zou, Xiaoqin
Udgivet i Proteins (2016)

Inclusion of the orientational entropic effect and low-resolution experimental information for protein-protein docking in CAPRI

af Huang, Sheng-You, Yan, Chengfei, Grinter, Sam Z., Chang, Shan, Jiang, Lin, Zou, Xiaoqin
Udgivet 2013

Modulating the voltage sensor of a cardiac potassium channel shows antiarrhythmic effects

af Lin, Yangyang, Grinter, Sam Z., Lu, Zhongju, Xu, Xianjin, Wang, Hong Zhan, Liang, Hongwu, Hou, Panpan, Gao, Junyuan, Clausen, Chris, Shi, Jingyi, Zhao, Wenshan, Ma, Zhiwei, Liu, Yongfeng, White, Kelli McFarland, Zhao, Lu, Kang, Po Wei, Zhang, Guohui, Cohen, Ira S., Zou, Xiaoqin, Cui, Jianmin
Udgivet i Proc Natl Acad Sci U S A (2021)