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Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, lar...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Phys
Prif Awduron: Kandel, Saugat, Salomon-Ferrer, Romelia, Larsen, Adrien B., Jain, Abhinandan, Vaidehi, Nagarajan
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: AIP Publishing LLC 2016
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4733083/
https://ncbi.nlm.nih.gov/pubmed/26827207
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4939532
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