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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Biochim Biophys Acta
Prif Awduron: Bernardi, Rafael C., Melo, Marcelo C. R., Schulten, Klaus
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2014
Pynciau:
Mynediad Ar-lein: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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