Reliable In Silico Ranking of Engineered Therapeutic TCR Binding Affinities with MMPB/GBSA
Author:
Affiliation:
1. Immunocore Ltd., Milton Park, Abingdon OX14 4RY, U.K.
2. Division of Infection & Immunity, Cardiff University, Cardiff CF14 4XN, U.K.
3. School of Biochemistry, University of Bristol, Biomedical Sciences Building, Bristol BS8 1TD, U.K.
Funder
Biotechnology and Biological Sciences Research Council
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00765
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1. Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1
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