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Biomolecular solvation: from molecular to continuum models
Presenter
- Nathan Baker
December 9, 2008
IMA
Probing the prion hydration by Molecular dynamics simulations: from native via misfolded to amyloid conformations
Presenter
- Alfonso De Simone
December 8, 2008
IMA
Solubility profiles of amyloidogenic molecular structures. Theory and experiment
Presenter
- Florin Despa
December 8, 2008
IMA
Intricate role of water molecules in protein dynamics
Presenter
- Donald Hamelberg
December 8, 2008
IMA
Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory, and algorithms
Presenter
- Mark Tuckerman
December 7, 2008
IMA
An introduction to quantum mechanical continuum solvation models
Presenter
- Benedetta Mennucci
December 7, 2008
IMA
Simulations of solvent effects using combined QM/MM methods
Presenter
- Jiali Gao
December 7, 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
Applications of quantum mechanical continuum solvation models to the study of molecular properties and spectroscopic features of molecular solutes in different environments
Presenter
- Benedetta Mennucci
December 7, 2008
IMA