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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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Bibliografski detalji
Izdano u:Biochim Biophys Acta
Glavni autori: Bernardi, Rafael C., Melo, Marcelo C. R., Schulten, Klaus
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online pristup: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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