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Estimating electrostatic contributions to solvation via boundary-integral equation theory
Presenter
- Jaydeep Bardhan
December 11, 2008
IMA
Classical molecular dynamics simulations of the liquid water-gold interface
Presenter
- Stefano Corni
December 10, 2008
IMA
Calculation of small molecule solvation free energy by molecular dynamics and Monte Carlo simulations.
Presenter
- Yuqing Deng
December 10, 2008
IMA
Hydration from organic molecules to protein-ligand complexes
Presenter
- William Jorgensen
December 10, 2008
IMA
Quantum chemical modelling of molecules at dielectric surfaces and interfaces
Presenter
- Luca Frediani
December 9, 2008
IMA
An overview of the non linearity in Quantum Chemical continuum solvation models
Presenter
- Roberto Cammi
December 9, 2008
IMA
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
Presenter
- Jiali Gao
December 9, 2008
IMA