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Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems

Mixed-solvent molecular dynamics (MixMD) is a hotspot-mapping technique that relies on molecular dynamics simulations of proteins in binary solvent mixtures. Previous work on MixMD has established the technique’s effectiveness in capturing binding sites of small organic compounds. In this work, we s...

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Bibliografiske detaljer
Udgivet i:J Phys Chem B
Main Authors: Ghanakota, Phani, Carlson, Heather A.
Format: Artigo
Sprog:Inglês
Udgivet: 2016
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5214548/
https://ncbi.nlm.nih.gov/pubmed/27258368
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b03515
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