Tuning Potential Functions to Host–Guest Binding Data-Reference-Cited by-同舟云学术

Tuning Potential Functions to Host–Guest Binding Data

Published:2023-12-26 Issue:1 Volume:20 Page:239-252
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Setiadi Jeffry¹,Boothroyd Simon²³^ORCID,Slochower David R.⁴^ORCID,Dotson David L.⁵⁶,Thompson Matthew W.⁶,Wagner Jeffrey R.⁶,Wang Lee-Ping⁷^ORCID,Gilson Michael K.¹^ORCID

Affiliation:

1. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9255 Pharmacy Lane, La Jolla, California 92093, United States

2. Boothroyd Scientific Consulting Ltd., London WC2H 9JQ, U.K.

3. Psivant Therapeutics, Boston, Massachusetts 02210, United States

4. Vertex Pharmaceuticals, San Diego, California 92121, United States

5. Datryllic LLC, Phoenix, Arizona 85003, United States

6. The Open Force Field Consortium, Open Molecular Software Foundation, Davis, California 95616, United States

7. Chemistry Department, University of California Davis, Davis, California 95616, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications