Tai-Sung Lee
Orcid: 0000-0003-2110-2279
According to our database1,
Tai-Sung Lee
authored at least 12 papers
between 1998 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
2022
AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA).
J. Chem. Inf. Model., 2022
2021
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER.
J. Chem. Inf. Model., 2021
2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.
J. Chem. Inf. Model., 2020
2019
2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features.
J. Chem. Inf. Model., 2018
2016
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP.
J. Comput. Aided Mol. Des., 2016
RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations.
Proceedings of the 45th International Conference on Parallel Processing, 2016
2013
Proceedings of the Extreme Science and Engineering Discovery Environment: Gateway to Discovery, 2013
2003
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
J. Comput. Chem., 2003
1998
Parallel implementation of divide-and-conquer semiempirical quantum chemistry calculations.
J. Comput. Chem., 1998