טוען...
Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation
We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radia...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
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| Main Authors: | , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2013
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4239435/ https://ncbi.nlm.nih.gov/pubmed/25419192 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4003493 |
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