Binh Khanh Mai
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Applications of density functional theory calculations for transition metal-catalyzed reactions
Open Date: 2018-01-01
Close Date: 2019-01-01
Articles (11)
Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro<i>via</i>physics- and knowledge-based approaches
Computational approaches, including physics- and knowledge-based methods, have commonly been used to determine the ligand-binding affinity toward SARS-CoV-2 main protease (Mpro or 3CLpro).
Year:
2022
Collaborators (10)
Wen Liu
Assistant Professor
Nanyang Technological University (NTU)
Peng Liu
University of Pittsburgh
Amir H. Hoveyda
Boston College
Jacquelyne Read
Research Assistant Professor
Dartmouth College
Filippo Romiti
Assistant Professor
University of Texas at Dallas
Ming Joo Koh
President's Assistant Professor
National University of Singapore (NUS)
Anis Tlili
CNRS Délégation Rhône-Auvergne
Yang Yang
Assistant Professor
University of California, Santa Barbara
Jaehee Lee
Vertex Pharmaceuticals
AMIT KUMAR SIMLANDY
Scripps Research Institute
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