Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes

Predicting changes in protein binding affinity due to single amino acid mutations helps us better understand the driving forces underlying protein-protein interactions and design improved biotherapeutics. Here, we use the MM-GBSA approach with the OPLS2005 force field and the VSGB2.0 solvent model t...

Full beskrivning

Sparad:
Bibliografiska uppgifter
Huvudupphovsmän: Beard, Hege, Cholleti, Anuradha, Pearlman, David, Sherman, Woody, Loving, Kathryn A.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Public Library of Science 2013
Ämnen:
Research Article
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC3858304/
https://ncbi.nlm.nih.gov/pubmed/24340062
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0082849
Taggar: Lägg till en tagg
Inga taggar, Lägg till första taggen!

Liknande verk