OpenMM

Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects
The roles of cations and anions are different in the perturbation on solvation, and thus, the analyses of the separated contributions …
Stefan Hervø-Hansen, Daoyang Lin, Kento Kasahara, Nobuyuki Matubayasi
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Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects
Anion–cation contrast of small molecule solvation in salt solutions
The contributions from anions and cations from salt are inseparable in their perturbation of molecular systems by experimental and …
Stefan Hervø-Hansen, Jan Heyda, Mikael Lund, Nobuyuki Matubayasi
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Anion–cation contrast of small molecule solvation in salt solutions
OpenMM Tricks and Guides
Easy development of OpenMM formatted force fields and conversion of AMBER & Gromacs formats to openMM.
Stefan Hervø-Hansen
Last updated on Jul 15, 2022 6 min read
OpenMM Tricks and Guides