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Hsu‐Chun Tsai

rutgers university system

7H指数
13论文数
611被引数
收录论文 7
发表时间
Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach
err2024-09-03
err0
PREAI
errTsai, Hsu-Chun; Xu, James; Guo, Zhenyu; Yi, Yinhui; Tian, Chuan; Que, Xinyu; Giese, Timothy; Lee, Tai-Sung; York, Darrin M.; Ganguly, Abir; Pan, Albert
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ACES: Optimized Alchemically Enhanced Sampling
err2023-01-11
err29
errOAAI
errLee, Tai-Sung; Tsai, Hsu-Chun; Ganguly, Abir; York, Darrin M.
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways
err2023-01-09
err24
PREAI
errTsai, Hsu-Chun; Lee, Tai-Sung; Ganguly, Abir; Giese, Timothy J.; Ebert, Maximilian C. C. J. C.; Labute, Paul; Merz, Kenneth M., Jr.; York, Darrin M.
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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
err2022-11-30
err20
errOAAI
errGanguly, Abir; Tsai, Hsu-Chun; Fernandez-Pendas, Mario; Lee, Tai-Sung; Giese, Timothy J.; York, Darrin M.
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
err2020-09-16
err229
errOAAI
errLee, Tai-Sung; Allen, Bryce K.; Giese, Timothy J.; Guo, Zhenyu; Li, Pengfei; Lin, Charles; McGee, T. Dwight, Jr.; Pearlman, David A.; Radak, Brian K.; Tao, Yujun; Tsai, Hsu-Chun; Xu, Huafeng; Sherman, Woody; York, Darrin M.
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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
err2020-07-16
err49
errOAAI
errLee, Tai-Sung; Lin, Zhixiong; Allen, Bryce K.; Lin, Charles; Radak, Brian K.; Tao, Yujun; Tsai, Hsu-Chun; Sherman, Woody; York, Darrin M.
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Validation of Free Energy Methods in AMBER
err2020-06-18
err22
errOAAI
errTsai, Hsu-Chun; Tao, Yujun; Lee, Tai-Sung; Merz, Kenneth M., Jr.; York, Darrin M.
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