Projects per year
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Dive into the research topics where Tai-Sung Lee is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
- 1 Finished
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DEVELOPMENT AND APPLICATION OF A NEW QM/MM METHOD
National Institute of General Medical Sciences
4/1/98 → 3/31/00
Project: Research project
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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
Ganguly, A., Tsai, H. C., Fernández-Pendás, M., Lee, T. S., Giese, T. J. & York, D. M., Dec 12 2022, In: Journal of Chemical Information and Modeling. 62, 23, p. 6069-6083 15 p.Research output: Contribution to journal › Article › peer-review
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways
Tsai, H. C., Lee, T. S., Ganguly, A., Giese, T. J., Ebert, M. CCJC., Labute, P., Merz, K. M. & York, D. M., 2022, (Accepted/In press) In: Journal of Chemical Theory and Computation.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER
Zhang, H., Kim, S., Giese, T. J., Lee, T. S., Lee, J., York, D. M. & Im, W., Sep 27 2021, In: Journal of Chemical Information and Modeling. 61, 9, p. 4145-4151 7 p.Research output: Contribution to journal › Article › peer-review
11 Scopus citations -
Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost
Lee, T. S., Tsai, H. C., Ganguly, A., Giese, T. J. & York, D. M., 2021, ACS Symposium Series. Armacost, K. A. & Thompson, D. C. (eds.). American Chemical Society, p. 161-204 44 p. (ACS Symposium Series; vol. 1397).Research output: Chapter in Book/Report/Conference proceeding › Chapter
5 Scopus citations -
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies
Zou, J., Li, Z., Liu, S., Peng, C., Fang, D., Wan, X., Lin, Z., Lee, T. S., Raleigh, D. P., Yang, M. & Simmerling, C., Jun 8 2021, In: Journal of Chemical Theory and Computation. 17, 6, p. 3710-3726 17 p.Research output: Contribution to journal › Article › peer-review
6 Scopus citations