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Enhanced Sampling Techniques in Molecular Dynamics Simulations of Biological Systems

BACKGROUND: Molecular Dynamics has emerged as an important research methodology covering systems to the level of millions of atoms. However, insufficient sampling often limits its application. The limitation is due to rough energy landscapes, with many local minima separated by high-energy barriers,...

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Publicat a:Biochim Biophys Acta
Autors principals: Bernardi, Rafael C., Melo, Marcelo C. R., Schulten, Klaus
Format: Artigo
Idioma:Inglês
Publicat: 2014
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4339458/
https://ncbi.nlm.nih.gov/pubmed/25450171
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbagen.2014.10.019
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