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Calculation of small molecule solvation free energy by molecular dynamics and Monte Carlo simulations.
Presenter
- Yuqing Deng
December 10, 2008
IMA
Solubility profiles of amyloidogenic molecular structures. Theory and experiment
Presenter
- Florin Despa
December 8, 2008
IMA
Ab initio path-integrals and specific applications of the Car-Parrinello approach to problems of aqueous ion solvation and transport
Presenter
- Mark Tuckerman
December 7, 2008
IMA
Coarse-grained and multiscale models of bulk liquids and macromolecules
Presenter
- Teresa Head-Gordon
November 4, 2008
IMA
Coarse-grained Parameterizations of Biomolecular Systems
Presenter
- Peter Kramer
January 15, 2008
IMA
The geometry of biomolecular solvation. Part 1: Hydrophobicity
Presenter
- Patrice Koehl
January 10, 2008
IMA
Nicolas Hörmann - Bias In, Physics Out: Ab-Initio Insights into Electrified Interfaces
Presenter
- Nicolas Hörmann
September 18, 2025
IPAM