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Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method

A new methodology termed Single Amino Acid Mutation based change in Binding free Energy (SAAMBE) was developed to predict the changes of the binding free energy caused by mutations. The method utilizes 3D structures of the corresponding protein-protein complexes and takes advantage of both approache...

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Bibliografske podrobnosti
izdano v:PLoS Comput Biol
Main Authors: Petukh, Marharyta, Li, Minghui, Alexov, Emil
Format: Artigo
Jezik:Inglês
Izdano: Public Library of Science 2015
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4492929/
https://ncbi.nlm.nih.gov/pubmed/26146996
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004276
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