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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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Bibliographic Details
Published in:Biochim Biophys Acta
Main Authors: Bernardi, Rafael C., Melo, Marcelo C. R., Schulten, Klaus
Format: Artigo
Language:Inglês
Published: 2014
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Online Access: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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