Title : Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein-Protein Interfaces.

Pub. Date : 2019 Mar 29

PMID : 30776430






1 Functional Relationships(s)
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1 Here we apply the co-alchemical water approach to study the efficacy of FEP calculations of charge changing mutations at the protein-protein interface for the antibody-gp120 system investigated previously and three additional complexes. Water inter-alpha-trypsin inhibitor heavy chain 4 Homo sapiens