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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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| Published in: | Phys Chem Chem Phys |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
2018
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| Subjects: | |
| Online Access: | 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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