MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands

Author:

Parui Sridip1ORCID,Robertson James C.2ORCID,Somani Sandeep2,Tresadern Gary3ORCID,Liu Cong4,Dill Ken A.156ORCID

Affiliation:

1. Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States

2. Janssen Research and Development, Spring House, Pennsylvania 19477, United States

3. Janssen Research and Development, Turnhoutseweg 30, Beerse B-2340, Belgium

4. Center for the Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, Massachusetts 02142, United States

5. Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States

6. Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794, United States

Funder

Stony Brook University

National Institute of General Medical Sciences

Janssen Pharmaceuticals

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Computing Free Energies of Fold-Switching Proteins Using MELD x MD;Journal of Chemical Theory and Computation;2023-09-19

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