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Targeting disease-causing effects with small molecules binding
Presenter
- Emil Alexov
December 11, 2015
MBI
New Advances in Local and Nonlocal Electrostatic Modeling and Calculation for Ionic Solvated Biomolecules
Presenter
- Dexuan Xie
December 10, 2015
MBI
Exploiting Active-site Site Water Structure and Thermodynamics for Drug Discovery and Design
Presenter
- Tom Kurtzman
December 9, 2015
MBI
Challenges in rational drug discovery - From drug binding to drug bioavailability
Presenter
- Chris Chipot
December 9, 2015
MBI
Markovian Milestoning MD Simulations for Computing On- and Off-Rates
Presenter
- Cameron Abrams
December 9, 2015
MBI
Binding hot spots, druggability, and ligand deconstruction
Presenter
- Sandor Vajda
December 8, 2015
MBI
Grand Canonical Solute Sampling in Combination with the Site Identification by Ligand Competitive Saturation (SILCS) Ligand Design Methodology
Presenter
- Alex MacKerell
December 8, 2015
MBI
Adaptive Multilevel Splitting algorithms for rare event simulations
Presenter
- Tony Lelievre
December 8, 2015
MBI
Finite Element and Finite Difference: Hybrid Methods for Electrostatics of Protein in Ionic Solvent
Presenter
- Dexuan Xie
December 1, 2015
MBI