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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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| Udgivet i: | J Phys Chem B |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2016
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| 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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