Carregant...

Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization

Despite considerable advances in computing power, atomistic simulations under nonperiodic boundary conditions, with Coulombic electrostatic interactions and in systems large enough to reduce finite-size associated errors in thermodynamic quantities to within the thermal energy, are still not afforda...

Descripció completa

Guardat en:
Dades bibliogràfiques
Publicat a:Theor Chem Acc
Autors principals: Reif, Maria M., Oostenbrink, Chris
Format: Artigo
Idioma:Inglês
Publicat: Springer Berlin Heidelberg 2015
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4470580/
https://ncbi.nlm.nih.gov/pubmed/26097404
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-014-1600-8
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!