| Saturday, May 16, 2015 |
| afternoon | Arrival in Oklahoma City |
|
| Sunday, May 17, 2015 |
|
| 8:10 am | Shuttle leaves Sheraton Hotel for conference center |
|
| 8:30 - 9:00 am | Registration and Check-in |
|
| 9:00-9:30 am | Welcome notes by Dr. Kelvin Droegemeier
(Vice-President for Research - OU Norman) |
| |
and Dr. Darrin Akins (Assoc. Dean for Research - OUHSC) |
|
| Morning Session: Computing in Health Sciences |
|
| 9:30-10:30 am |
Ruth Nussinov
(Keynote Talk) |
| |
K-Ras Ensembles, Biology and Signaling: Questions and Observations
|
|
| 10:30-11:00 am | Break |
|
| 11:00-11:30 am |
Christopher Fennel
(Invited Talk) |
| |
Modeling protein diffusion in the extracellular matrix
|
|
| 11:30 am - 12:00 pm |
Ruibin Liang (CBSB2015 Outstanding Young Researcher Talk)
|
| |
Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel
|
|
| 12:00 - 2:00 pm | Lunch |
|
| Afternoon Session: Computing in Cancer Research |
| 2:00-2:30 pm |
Pradipta Bandyopadhyay
(Invited Talk) |
| |
Computational modeling of cytoplasm of a bacterial cell: diffusion and hydrodynamics
|
|
| 2:30-3:00 pm |
Alamayehu Gorfe
(Invited Talk) |
| |
Membrane binding, conformational plasticity and druggability of Ras proteins: A comprehensive computational analysis
|
|
| 3:00-3:30 pm |
Dale Merz (CBSB2015 Outstanding Young Researcher Talk)
|
| |
Mechanical effects of nucleotide binding in Hsp70 from pulling experiments and simulations
|
|
| 3:30-4:00 pm | Break |
|
| 4:00-4:30 pm |
Sichun Yang
(Invited Talk) |
| |
New Fold of Estrogen Receptor: Examining Cross-talk between Domains
|
|
| 4:30-4:50 pm |
Anirban Banerji
|
| |
Finding needle in a haystack! Fishing out the druggable proteins from the proteome with a structure-based computational framework
|
|
| 4:50-5:10 pm |
Abu Gafar Hossion
|
| |
Synthesis and cytotoxic evaluation of analogues of the tubulin-binding agent soblidotin
|
|
| 5:10-5:30 pm |
Yu-Hsuan Shih
|
| |
Computational studies of collaboration between E. coli ClpB and cofactors DnaK/GrpE during protein disaggregation
|
| 5:30-6:00 pm | Panel Discussion |
|
| 6:00-7:30 pm | Poster Session |
|
| 7:30 pm | Shuttle leaves conference center for Sheraton Hotel |
|
| Monday, May 18, 2015 |
|
| 8:00 am | Shuttle leaves Sheraton Hotel for conference center |
|
| Morning Session: Protein Folding |
|
| 8:30-9:30 am |
Ron Elber
(Keynote) |
| |
Computer simulations of protein function: Challenges and solutions
|
|
| 9:30-10:00 am |
Sang Beom Kim (CBSB2015 Outstanding Young Researcher Talk)
|
| |
Systematic Characterization of Protein Folding Pathways using Diffusion Maps and Molecular Simulation
|
|
| 10:00-10:30 am | Break |
|
| 10:30-11:00 am |
Daisuke Kihara
(Invited Talk) |
| |
Detecting local residue environment similarity for recognizing near-native structure models
|
|
| 11:00-11:20 am |
Kai Leong
|
| |
Molecular Dynamics Investigation of surface tension and internal pressure of nanodroplet
|
|
| 11:20-11:40 am |
Xubo Lin
|
| |
Effects of Peptide Concentration, Bilayer Composition and Nanoparticles on the Dynamics and Stability of H-Ras Peptide Nanoclusters
|
|
| 11:40-12:00pm |
Maksim Kouza
|
| |
Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom models
|
|
| 12:00-12:30pm | Panel Discussion |
|
| 12:30 - 2:00 pm | Lunch |
|
| Afternoon Session: Disordered Proteins and Aggregation |
|
| 2:00-2:30 pm |
Robert R. Best
(Invited Talk) |
| |
Accurate atomistic simulations of intrinsically disordered proteins
|
|
| 2:30-3:00 pm |
Carlos J. Camacho
(Invited Talk) |
| |
Protein non-folding as a regulatory phenomenon
|
|
| 3:00-3:30 pm |
Chenyi Liao (CBSB2015 Outstanding Young Researcher Talk)
|
| |
Microsecond MD simulations to reveal the dynamics and mechanism of a Class B GPCR
|
|
| 3:30-4:00 pm | Break |
|
| 4:00-4:20 pm |
Sherin Paranahewage |
| |
Alternative approaches to electrostatics accumulation in free energy calculations
|
|
| 4:20-4:40 pm |
Yinling Liu
|
| |
Investigating the domain motions of NaAtm1 family ATP Binding Cassette Exporter
|
|
| 4:40-5:00 pm |
Tingting Han
|
| |
Perturbation of dynamic properties through mutations in plasmodium falciparum dihydrofolate reductase
|
|
| 5:00-5:20 pm |
Haiqing Zhao
|
| |
The Binding Landscape of CENP-A/H4 Dimer Reveals Thermodynamic Distinctions from H3/H4 Dimer
|
| 5:20-6:00 pm | Panel Discussion |
|
| 6:00 - 8:00 pm | Conference Dinner |
|
| 8:00 pm | Shuttle leaves conference center for Sheraton Hotel |
|
| Tuesday, May 19, 2015 |
|
| 8:00 am | Shuttle leaves Sheraton Hotelfor conference center |
|
| Morning Session: Frontiers in Protein Simulations |
|
| 8:30-9:30 am |
Ken A Dill
(Keynote) |
| |
Harnessing confusing combinatorial information within MD simulations for modeling protein
|
|
| 9:30-10:00 am |
Thomas Vogel (CBSB2015 Outstanding Young Researcher Talk)
|
| |
Accelerating the convergence of replica exchange simulations using Gibbs sampling and adaptive temperature sets
|
|
| 10:00-10:30 am | Break |
|
| 10:30 -11:00 am |
Maria Kurnikova
(Invited Talk) |
| |
Modeling of pH - driven protein unfolding by a combination of Molecular Dynamics techniques
|
|
| 11:00-11:30 am |
Wei Wang
(Invited Talk) |
| |
Simulations on metal ion coupled protein folding and allosteric motion
|
|
| 11:30 -12:00 pm |
Feng Wang
(Invited Talk) |
| |
First Principle Solvation Free Energy of Monovalent Ions from Adaptive Force Matching
|
|
| Noon | Parting words |
|
| 12:30 pm | Shuttle leaves conference center for Sheraton Hotel |
|
| | Conference ends |
|
