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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Collaborations and top research areas from the last five years
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Projects
- 2 Finished
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A next-generation extendable simulation environment for affordable, accurate, and efficient free energy simulations
Lee, T.-S. (PI)
National Institute of General Medical Sciences
6/6/23 → 3/31/24
Project: Research project
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DEVELOPMENT AND APPLICATION OF A NEW QM/MM METHOD
Lee, T.-S. (PI)
National Institute of General Medical Sciences
4/1/98 → 3/31/00
Project: Research project
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Alchemical Enhanced Sampling with Optimized Phase Space Overlap
Zhang, S., Giese, T. J., Lee, T. S. & York, D. M., May 14 2024, In: Journal of Chemical Theory and Computation. 20, 9, p. 3935-3953 19 p.Research output: Contribution to journal › Article › peer-review
4 Scopus citations -
ACES: Optimized Alchemically Enhanced Sampling
Lee, T. S., Tsai, H. C., Ganguly, A. & York, D. M., Jan 24 2023, In: Journal of Chemical Theory and Computation. 19, 2, p. 472-487 16 p.Research output: Contribution to journal › Article › peer-review
Open Access28 Scopus citations -
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. C., Labute, P., Merz, K. M. & York, D. M., Jan 24 2023, In: Journal of Chemical Theory and Computation. 19, 2, p. 640-658 19 p.Research output: Contribution to journal › Article › peer-review
22 Scopus citations -
AmberTools
Case, D. A., Aktulga, H. M., Belfon, K., Cerutti, D. S., Cisneros, G. A., Cruzeiro, V. W. D., Forouzesh, N., Giese, T. J., Götz, A. W., Gohlke, H., Izadi, S., Kasavajhala, K., Kaymak, M. C., King, E., Kurtzman, T., Lee, T. S., Li, P., Liu, J., Luchko, T. & Luo, R. & 27 others, , Oct 23 2023, In: Journal of Chemical Information and Modeling. 63, 20, p. 6183-6191 9 p.Research output: Contribution to journal › Article › peer-review
Open Access444 Scopus citations -
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
Open Access19 Scopus citations