Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity Simulations
Author:
Affiliation:
1. Cryo-EM Center, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01305
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