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New tricks for old dogs: Improving the accuracy of biomolecular force fields by pair-specific corrections to non-bonded interactions

In contrast to ordinary polymers, the vast majority of biological macromolecules adopt highly ordered three-dimensional structures that define their functions. The key to folding of a biopolymer into a unique 3D structure or to assembly of several biopolymers into a functional unit is a delicate bal...

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Bibliografische gegevens
Gepubliceerd in:Phys Chem Chem Phys
Hoofdauteurs: Yoo, Jejoong, Aksimentiev, Aleksei
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2018
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5874203/
https://ncbi.nlm.nih.gov/pubmed/29547221
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/C7CP08185E
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