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Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review
Molecular Dynamics simulations are a powerful approach to study biomolecular conformational changes or protein–ligand, protein–protein, and protein–DNA/RNA interactions. Straightforward applications, however, are often hampered by incomplete sampling, since in a typical simulated trajectory the syst...
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| Publicado no: | Front Bioeng Biotechnol |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4558547/ https://ncbi.nlm.nih.gov/pubmed/26389113 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fbioe.2015.00125 |
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