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

Open Access

Peer-reviewed

Research Article

Marharyta Petukh,

Affiliation Computational Biophysics and Bioinformatics, Department of Physics, Clemson University, Clemson, South Carolina, United States of America
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Minghui Li,

Affiliation National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland, United States of America
⨯
Emil Alexov

* E-mail: ealexov@clemson.edu

Affiliation Computational Biophysics and Bioinformatics, Department of Physics, Clemson University, Clemson, South Carolina, United States of America
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Free energy
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Point mutation
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Dielectrics
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Monomers
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Mutation databases
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Hydrogen bonding
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Substitution mutation
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Algorithms
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