EPISOL A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules

EPISOL : A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological molecules

© 2023 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 44(2023), 17 vom: 30. Juni, Seite 1536-1549
1. Verfasser: Cao, Siqin (VerfasserIn)
Weitere Verfasser: Kalin, Michael L, Huang, Xuhui
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't molecular dynamics simulation reference interaction site model solvation free energy solvation model solvation structures Solvents Solutions
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