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ClustENM: ENM-Based Sampling of Essential Conformational Space at Full Atomic Resolution
Accurate sampling of conformational space and, in particular, the transitions between functional substates has been a challenge in molecular dynamic (MD) simulations of large biomolecular systems. We developed an Elastic Network Model (ENM)-based computational method, ClustENM, for sampling large co...
Gardado en:
| Publicado en: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2016
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5088496/ https://ncbi.nlm.nih.gov/pubmed/27494296 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00319 |
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