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An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features
Protein receptor conformations, obtained from molecular dynamics (MD) simulations, have become a promising treatment of its explicit flexibility in molecular docking experiments applied to drug discovery and development. However, incorporating the entire ensemble of MD conformations in docking exper...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | PLoS One |
|---|---|
| Prif Awduron: | , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Public Library of Science
2015
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4517875/ https://ncbi.nlm.nih.gov/pubmed/26218832 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0133172 |
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