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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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Detalles Bibliográficos
Autores principales:	Fujisaki, Hiroshi, Moritsugu, Kei, Matsunaga, Yasuhiro, Morishita, Tetsuya, Maragliano, Luca
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2015
Materias:	Bioengineering and Biotechnology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4558547/ https://www.ncbi.nlm.nih.gov/pubmed/26389113 http://dx.doi.org/10.3389/fbioe.2015.00125

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