Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method-Reference-Cited by-同舟云学术

Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method

Author:

Azimi Solmaz¹²^ORCID,Khuttan Sheenam¹²^ORCID,Wu Joe Z.¹³^ORCID,Pal Rajat K.⁴^ORCID,Gallicchio Emilio¹²³^ORCID

Affiliation:

1. Department of Chemistry, Brooklyn College of the City University of New York, Brooklyn, New York 11210, United States

2. Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States

3. Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States

4. Roivant Sciences, Inc., Boston, Massachusetts 02210, United States

Funder

Division of Chemistry

NSF XSEDE

Publisher

American Chemical Society (ACS)

Subject

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

Link

Reference81 articles.

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