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

Autor Grinter, Sam Z., Zou, Xiaoqin
Vydáno v Molecules (2014)

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

Autor Liu, Hao-Yang, Grinter, Sam Z., Zou, Xiaoqin
Vydáno 2009

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

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

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

Autor Yan, Chengfei, Grinter, Sam Z., Merideth, Benjamin Ryan, Ma, Zhiwei, Zou, Xiaoqin
Vydáno v J Chem Inf Model (2015)

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

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

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

Autor Xu, Xianjin, Qiu, Liming, Yan, Chengfei, Ma, Zhiwei, Grinter, Sam Z., Zou, Xiaoqin
Vydáno v Proteins (2016)

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

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

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

Autor 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
Vydáno v Proc Natl Acad Sci U S A (2021)