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LAGUERRE-INTERSECTION METHOD FOR IMPLICIT SOLVATION
Explicit solvent molecular dynamics simulations of a macromolecule are slow as the number of solvent atoms considered typically increases by order of magnitude. Implicit methods introduce surface-dependent corrections to the force field, gaining speed at the expense of accuracy. Properties such as m...
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| Publicado no: | Int J Comput Geom Appl |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6407717/ https://ncbi.nlm.nih.gov/pubmed/30853740 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1142/s0218195918500012 |
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