Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
-
- Tai-Sung Lee
- Rutgers, the State University of New Jersey, Laboratory for Biomolecular Simulation Research, and Department of Chemistry and Chemical Biology, New Brunswick, New Jersey 08901-8554, United States
-
- Bryce K. Allen
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- Timothy J. Giese
- Rutgers, the State University of New Jersey, Laboratory for Biomolecular Simulation Research, and Department of Chemistry and Chemical Biology, New Brunswick, New Jersey 08901-8554, United States
-
- Zhenyu Guo
- Silicon Therapeutics, Suzhou, Jiansu, 215000, China
-
- Pengfei Li
- Silicon Therapeutics, Suzhou, Jiansu, 215000, China
-
- Charles Lin
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- T. Dwight McGee
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- David A. Pearlman
- QSimulate Incorporated, Cambridge, Massachusetts 02139, United States
-
- Brian K. Radak
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- Yujun Tao
- Rutgers, the State University of New Jersey, Laboratory for Biomolecular Simulation Research, and Department of Chemistry and Chemical Biology, New Brunswick, New Jersey 08901-8554, United States
-
- Hsu-Chun Tsai
- Rutgers, the State University of New Jersey, Laboratory for Biomolecular Simulation Research, and Department of Chemistry and Chemical Biology, New Brunswick, New Jersey 08901-8554, United States
-
- Huafeng Xu
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- Woody Sherman
- Silicon Therapeutics, Boston, Massachusetts 02210, United States
-
- Darrin M. York
- Rutgers, the State University of New Jersey, Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, New Brunswick, New Jersey 08901-8554, United States
収録刊行物
-
- Journal of Chemical Information and Modeling
-
Journal of Chemical Information and Modeling 60 (11), 5595-5623, 2020-09-16
American Chemical Society (ACS)
