Enhanced and effective conformational sampling of protein molecular systems for their free energy landscapes

Protein folding and protein–ligand docking have long persisted as important subjects in biophysics. Using multicanonical molecular dynamics (McMD) simulations with realistic expressions, i.e., all-atom protein models and an explicit solvent, free-energy landscapes have been computed for several syst...

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Detalles Bibliográficos
Autores principales: Higo, Junichi, Ikebe, Jinzen, Kamiya, Narutoshi, Nakamura, Haruki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer-Verlag 2012
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3271212/
https://www.ncbi.nlm.nih.gov/pubmed/22347892
http://dx.doi.org/10.1007/s12551-011-0063-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3271212/
https://www.ncbi.nlm.nih.gov/pubmed/22347892
http://dx.doi.org/10.1007/s12551-011-0063-6

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