Skip to Main Content
From Computational Biophysics to Systems Biology (CBSB2015)
May 17-19, 2015  Oklahoma City, Oklahoma
OUHSC link

OU link

OU link

UCO link

OMRF link

Workshop Program

Saturday, May 16, 2015
afternoonArrival in Oklahoma City
Sunday, May 17, 2015
8:10 amShuttle leaves Sheraton Hotel for conference center
8:30 - 9:00 amRegistration and Check-in
9:00-9:30 amWelcome 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 amBreak
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 pmLunch
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 pmBreak
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 pmPanel Discussion
6:00-7:30 pmPoster Session
7:30 pmShuttle leaves conference center for Sheraton Hotel
Monday, May 18, 2015
8:00 amShuttle 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 amBreak
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 pmLunch
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 pmBreak
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 pmPanel Discussion
6:00 - 8:00 pmConference Dinner
8:00 pmShuttle leaves conference center for Sheraton Hotel
Tuesday, May 19, 2015
8:00 amShuttle 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 amBreak
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
NoonParting words
12:30 pmShuttle leaves conference center for Sheraton Hotel
Conference ends