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Searching Results for W12.8-12.08:
Solvation and the energetics of protein folding
, Robert L. Baldwin
(Stanford University)
Intricate role of water molecules in protein dynamics
, Donald Hamelberg
(Georgia State University)
Solubility profiles of amyloidogenic molecular structures. Theory and experiment
, Florin Despa
(University of California, Davis)
Probing the prion hydration by Molecular dynamics simulations: from native via misfolded to amyloid conformations
, Alfonso De Simone
(University of Cambridge)
Monday Second chances
, Ridgway Scott
(University of Chicago)
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
, Jiali Gao
(University of Minnesota)
Quantum chemical modelling of molecules at dielectric surfaces and interfaces
, Luca Frediani
(University of Tromsø)
An overview of the non linearity in Quantum Chemical continuum solvation models
, Roberto Cammi
(Università di Parma)
Biomolecular solvation: from molecular to continuum models
, Nathan A. Baker
(Washington University School of Medicine)
Tuesday Second chances
, Mark E. Tuckerman
(New York University)
Coupling the level-set method with variational implicit-solvent models for molecular solvation
, Bo Li
(University of California, San Diego)
Hydration from organic molecules to protein-ligand complexes
, William L. Jorgensen
(Yale University)
Solvation and hydration at different scales
, Bernard R. Brooks
(National Institutes of Health)
Calculation of small molecule solvation free energy by molecular dynamics and Monte Carlo simulations
, Yuqing Deng
(Zymeworks Inc.)
Classical molecular dynamics simulations of the liquid water-gold interface
, Stefano Corni
(Consiglio Nazionale delle Ricerche (CNR)
First-principles simulation of electrochemical systems
, Eric Cances
(CERMICS)
Fast algorithms for integral equations
, Carl Timothy Kelley
(North Carolina State University))
Wednesday Second chances
, Michael J. Holst
(University of California, San Diego)
A fast N-body solver for the Poisson(-Boltzmann) equation
, Robert D. Skeel
(Purdue University)
The membrane potential and its representation in computer simulations
, Benoit Roux
(University of Chicago)
Self-organized models of selectivity in Ca and Na channels
, Robert S. Eisenberg
(Rush University Medical Center)
Molecular recognition in life phenomena probed with the statistical mechanics of liquids
, Fumio Hirata
(National Institutes of Natural Sciences)
Estimating electrostatic contributions to solvation via boundary-integral equation theory
, Jaydeep P. Bardhan
(Argonne National Laboratory)
Thursday Second chances
, Matthew Gregg Knepley
(Argonne National Laboratory)
Classical density functional theory approach to solvation in polar solvents
, Daniel Jean Borgis
(Université d'Evry)
Dimerization of formamide
, Modesto Orozco
(University of Barcelona))
Friday Second Chances
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