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MixMD Probeview: Robust Binding Site Prediction from Cosolvent Simulations

Mixed-solvent molecular dynamics (MixMD) is a cosolvent simulation technique for identifying binding hotspots and specific favorable interactions on a protein’s surface. MixMD studies have the ability to identify these biologically relevant sites by examining the occupancy of the cosolvent over the...

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Bibliografiske detaljer
Udgivet i:J Chem Inf Model
Main Authors: Graham, Sarah E., Leja, Noah, Carlson, Heather A.
Format: Artigo
Sprog:Inglês
Udgivet: 2018
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6186161/
https://ncbi.nlm.nih.gov/pubmed/29905479
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00265
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