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CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides
An empirical all-atom CHARMM polarizable force filed for aldopentofuranoses and methyl-aldopentofuranosides based on the classical Drude oscillator is presented. A single electrostatic model is developed for eight different diastereoisomers of aldopentofuranoses by optimizing the existing electrosta...
Shranjeno v:
| izdano v: | J Phys Chem B |
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| Main Authors: | , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2015
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4483154/ https://ncbi.nlm.nih.gov/pubmed/26018564 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b01767 |
| Oznake: |
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