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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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| Gepubliceerd in: | J Chem Inf Model |
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| Hoofdauteurs: | , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2018
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| Onderwerpen: | |
| Online toegang: | 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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