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Implementing and Assessing an Alchemical Method for Calculating Protein–Protein Binding Free Energy

Protein–protein binding is fundamental to most biological processes. It is important to be able to use computation to accurately estimate the change in protein–protein binding free energy due to mutations in order to answer biological questions that would be experimentally challenging, laborious, or...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Theory Comput
Prif Awduron: Patel, Dharmeshkumar, Patel, Jagdish Suresh, Ytreberg, F. Marty
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2021
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC8044032/
https://ncbi.nlm.nih.gov/pubmed/33709712
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01045
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