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CTW: Modeling and computation of biomolecular structure and dynamics: Schedule (talks are in 355 Jennings Hall)

Schedule
Monday, April 25
Structure and function of biomolecules (Chair: Chuck Bell)
8:15am Shuttle leaves for MBI
8:30-8:45am Breakfast
8:45-9:00am Welcome, overview of workshop, and introductions: Marty Golubitsky
9:00-9:50am Stephen White: Hydrogen-Bond Networks and Membrane Protein Function
9:50-10:20am Break
10:20-11:10am Stan Opella: Structure Determination of Membrane Proteins in Proteoliposomes
11:10-11:40am Jack Quine: Discrete differential geometry of curves and protein structure
11:40-1:40pm Lunch break
1:40-2:30pm Lukas Tamm: Probing Membrane Protein Structure and Dynamics by NMR and Single Molecule Fluorescence
2:30-3:00pm Break
3:00-3:30pm Julie Mitchell: ReplicOpter: A Replicate Optimizer for Flexible Docking
3:30-4:00pm Christine Heitsch: Analysis, prediction, and design of viral RNA secondary structures
4:00-4:30pm Informal discussion
4:30-6:30pm Reception and Poster session
6:30pm Shuttle pick-up from MBI
Tuesday, April 26
Modeling of biomolecular solvation and electrostatics (Morning session Chair: Robert Krasny; Afternoon session chair: Michael Mascagni)
8:15am Shuttle leaves for MBI
8:30-9:00am Breakfast
9:00-9:50am Nathan Baker: Improving electrostatic descriptions of ions around double-stranded DNA
9:50-10:20am Break
10:20-10:50am Wei Cai: Image approximations to reaction fields in inhomogeneous media
10:50-11:20am Shan Zhao: Pseudo-time coupled smooth interface models for biomolecular solvation calculations
11:20-11:50am Emil Alexov: In silico modeling of the effects of missense mutations causing mental disorders
11:50-1:50pm Lunch break
1:50-2:40pm Ridgway Scott: Mathematics in drug design
2:40-3:10pm Break
3:10-3:40pm Marcia Fenley: What can the Poisson-Boltzmann equation teach us about the role of electrostatics in Charged Ligand-Nucleic Acid Association
3:40-4:10pm Zhijun Wu: Statistical Measures on Residue-Level Protein Structural Properties
4:10-4:40pm Qi Wang: Theoretical and Computational Modeling of Passive and Active Biogels
4:40-5:20pm Informal discussion
5:30pm Shuttle pick-up from MBI
Wednesday, April 27
Mathematical models for ion channel dynamics and transport (Morning session Chair: Perumal Nithiarasu; Afternoon session chair: Weishi Liu)
8:15am Shuttle leaves for MBI
8:30-9:00am Breakfast
9:00-9:50am Bob Eisenberg: Ions in Channels: important biology ready for mathematical analysis
9:50-10:20am Break
10:20-10:50am Qiong Zheng: Generalized Poisson Nernst-Planck equations for ion channel transport: Numerical schemes and modified models
10:50-11:20am Dirk Gillespie: Modeling ion size effects with density functional theory of fluids
11:20-11:50am Chun Liu
11:50-1:50pm Lunch break
1:50-2:40pm Joseph Jerome: Fluid Assisted Charge Transport: Mathematical Consistency of the Navier-Stokes/Poisson-Nernst-Planck Model
2:40-3:10pm Break
3:10-3:40pm Duan Chen: Quantum dynamics in continuum for proton channel transport
3:40-4:10pm Benzhuo Lu: Molecular meshing and continuum modeling
4:10-4:40pm Yongcheng Zhou: Towards a self-consistent electromechanical model of protein-membrane interactions
4:40-5:20pm Informal discussion
5:30pm Shuttle pick-up from MBI
Thursday, April 28
Nanofluidics and nanopore membranes (Chair: Terry Conlisk)
8:15am Shuttle leaves for MBI
8:30-9:00am Breakfast
9:00-9:50am Minami Yoda: Velocimetry and Thermometry in Microfluidic Devices
9:50-10:30am Break
10:30-11:20am Ron Larson: Folding of Lipid Monolayers Containing Lung Surfactant Proteins SP-B1-25 and SP-C Studied via Coarse-Grained Molecular Dynamics Simulations
11:20-1:40pm Lunch break
1:40-2:30pm Narayan Aluru: Multiscale simulation of liquids under confinement
2:30-3:10pm Break
3:10-4:00pm Sherwin Singer: Electrokinetics and Biomolecules at the Water-Amorphous Silica Interface
4:00-4:30pm Informal discussion
4:30-5:10pm Break
5:10-5:30pm Photo on the steps of the Jennings Hall
5:30pm Shuttle pick-up from MBI
6:30-7:00pm Cash bar at Crowne Plaza (Fusion Room)
7:00pm Banquet in the Fusion Room @ Crowne Plaza Hotel
Friday, April 29
Application of nanofluidics and nanopore membranes to kidney structure and function (Chair: Terry Conlisk)
8:15am Shuttle leaves for MBI
8:30-9:00am Breakfast
9:00-9:50am Brad Rovin: Can we personalize therapy for kidney disease using mathematics?
9:50-10:30am Break
10:30-11:20am Nicholas Ferrell: In vitro models of glomerular permeability
11:20-11:50am Informal discussion
12:00pm One Shuttle back to hotel
One Shuttle to Columbus Airport (CMH)