Improved Sampling and Free Energy Estimates for Antibiotic Permeation through Bacterial Porins
Author:
Affiliation:
1. Department of Physics and Earth Sciences, Jacobs University Bremen, 28759 Bremen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00369
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