Tai-Sung Lee

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 16

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The Journal of chemical physics

Rutgers University New Brunswick

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Rutgers University New Brunswick Sep 01 2010

United States

Associate Research Professor

Publications

Shi Zhang, Timothy J Giese, Tai-Sung Lee, Darrin M York
Alchemical Enhanced Sampling with Optimized Phase Space Overlap. Journal of chemical theory and computation (2024)
Shi Zhang, Timothy J Giese, Tai-Sung Lee, Darrin M York
Alchemical Enhanced Sampling with Optimized Phase Space Overlap. Journal of chemical theory and computation 20 (9) (2024)
Hsu-Chun Tsai, James Xu, Zhenyu Guo, Yinhui Yi, Chuan Tian, Xinyu Que, Timothy J Giese, Tai-Sung Lee, Darrin M York, Abir Ganguly, Albert Pan
Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach. Journal of chemical information and modeling (2024)
Shi Zhang, Timothy J Giese, Tai-Sung Lee, Darrin M York
Alchemical Enhanced Sampling with Optimized Phase Space Overlap. Journal of chemical theory and computation 20 (9) (2024)
Tai-Sung Lee, Hsu-Chun Tsai, Abir Ganguly, Darrin M York
ACES: Optimized Alchemically Enhanced Sampling. Journal of chemical theory and computation (2023)
David A Case, Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, Gerardo Andrés Cisneros, Vinícius Wilian D Cruzeiro, Negin Forouzesh, Timothy J Giese, Andreas W Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet C Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R Machado, Hai Minh Nguyen, Kurt A O'Hearn, Alexey V Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E Cheatham, Daniel R Roe, Adrian E Roitberg, Carlos L Simmerling, Darrin M York, Maria C Nagan, Kenneth M Merz
AmberTools. Journal of chemical information and modeling (2023)
Hsu-Chun Tsai, Tai-Sung Lee, Abir Ganguly, Timothy J Giese, Maximilian Ccjc Ebert, Paul Labute, Kenneth M Merz, Darrin M York
AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways. Journal of chemical theory and computation (2023)
Abir Ganguly, Hsu-Chun Tsai, Mario Fernández-Pendás, Tai-Sung Lee, Timothy J Giese, Darrin M York
AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA). Journal of chemical information and modeling (2022)
Han Zhang, Seonghoon Kim, Timothy J Giese, Tai-Sung Lee, Jumin Lee, Darrin M York, Wonpil Im
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER. Journal of chemical information and modeling 61 (9) (2021)
Junjie Zou, Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan, Zhixiong Lin, Tai-Sung Lee, Daniel P Raleigh, Mingjun Yang, Carlos L Simmerling
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies. Journal of chemical theory and computation 17 (6) (2021)
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, Charles Lin, Brian K Radak, Yujun Tao, Hsu-Chun Tsai, Woody Sherman, Darrin M York
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials. Journal of chemical theory and computation 16 (9) (2020)
Xibing He, Viet Hoang Man, Wei Yang, Tai-Sung Lee, Junmei Wang
A fast and high-quality charge model for the next generation general AMBER force field. The Journal of chemical physics 153 (11) (2020)
Hsu-Chun Tsai, Yujun Tao, Tai-Sung Lee, Kenneth M Merz, Darrin M York
Validation of Free Energy Methods in AMBER. Journal of chemical information and modeling 60 (11) (2020)
Lin Frank Song, Tai-Sung Lee, Jin-Xia Liang, Darrin M York, Kenneth M Merz
Using AMBER18 for Relative Free Energy Calculations. Journal of chemical information and modeling 59 (7) (2019)
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, Charles Lin, Scott LeGrand, Timothy J Giese, Adrian E Roitberg, David A Case, Ross C Walker, Darrin M York
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features. Journal of chemical information and modeling 58 (10) (2018)
Ming Huang, Thakshila Dissanayake, Erich Kuechler, Brian K Radak, Tai-Sung Lee, Timothy J Giese, Darrin M York
A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations. Journal of chemical theory and computation 13 (9) (2017)

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Publication Activity (10 Years)

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Tai-Sung Lee