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CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

BACKGROUND: Molecular Mechanics (MM) is the method of choice for computational studies of biomolecular systems owing to its modest computational cost, which makes it possible to routinely perform molecular dynamics (MD) simulations on chemical systems of biophysical and biomedical relevance. SCOPE O...

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Bibliografske podrobnosti
izdano v:Biochim Biophys Acta
Main Authors: Vanommeslaeghe, K., MacKerell, A. D.
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4334745/
https://ncbi.nlm.nih.gov/pubmed/25149274
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbagen.2014.08.004
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