Program | Computational

8:30 – 9:00	Registration and Coffee
09:00 - 10:30	Shneior Lifson session Chair: Koby Levy, Weizmann Inst. and Tamar Schlick, New York Univ
9:00	Opening remarks
9:00 – 9:30	Michael Levitt, Stanford Univ., USA What Shneior Lifson Taught Me in Particular and the World in General
9:30 – 10:00	Barry Honig, Columbia Univ Physical Principles Underlying Cadherin-Mediated Cell-Cell Recognition
10:00 – 10:30	Arieh Warshel, Univ of Southern California Progress in Modeling of Biological Functions-From Then to Now
10:30 – 11:00	Coffee break
11:00 - 12:00	Historical Perspective Chair: Hemi Gutman, Tel Aviv Univ
11:00 – 11:30	Harold Scheraga, Cornell Univ Historical Perspective: From Experimental Distance Constraints to Simulation of Structure and Dynamics of Proteins
11:30 – 12:00	Klaus Schulten, Univ of Illinois Molecular Dynamics Simulations as a Computational Microscope
12:00 – 14:00	Lunch break + tour at Weizmann
14:00 - 15:30	Historical Perspective, Cont.
14:00 – 14:30	Ken Dill, Stony Brook Univ Protein folding is a field, not a problem
14:30 – 15:00	Andrew McCammon, UCSD Molecular Dynamics of Proteins: 37 Years and Counting
15:00 – 15:30	Jose' Onuchic, Rice Univ Energy landscape theory and funnels: from protein folding to molecular machines
15:30 – 16:00	Coffee break
16:00 - 18:00	Algorithmic Development Chair: Hanoch Senderowitz, Bar Ilan Univ
16:00 – 16:30	Zaida Luthey-Schulten, Univ of Illinois Simulations of Cellular Processes: From molecules, to networks and cells
16:30 – 16:50	Haim Wolfson, Tel Aviv Univ Computational Methods for the Integrative Modelling of Large Multi-Molecular Assemblies
16:50 – 17:20	Robert Best, NIH Reducing all-atom folding simulations to one dimension
17:20 – 17:40	Dan Major, Bar Ilan Univ Simulation of nuclear quantum effects in enzymes
17:40 – 18:00	Yael Mandel-Gutfreund, Technion RNA recognition: difficult or just different?
	Poster session + Dinner

09:00 - 10:30	Protein Folding Chair: Daniel Harries, Hebrew Univ
9:00 – 9:30	Peter Wolynes, Rice Univ Learning to live with frustration in biochemistry
9:30 – 10:00	Charles Brooks, Univ. of Michigan Flipping of ribosomal A-site adenines provides basis for tRNA selection
10:00 – 10:30	Angel Garcia, Rensselaer Polytechnic Institute High resolution reversible folding of three hyper-stable RNA tetraloops using MD simulations
10:30 – 11:00	Coffee break
11:00 – 11:30	Dave Thirumalai, Univ of Maryland Crowding effects on RNA and Protein Folding
11:30 – 12:00	Jeff Skolnick, Georgia Tech Interplay of physics and evolution in the likely origin of protein biochemical function
12:00 – 12:20	Ron Unger, Bar Ilan Univ N-terminal domains in two-domain proteins are biased to be shorter and predicted to fold faster than their C-terminal counterparts
12:20 – 14:20	Lunch break + tour at Weizmann
14:20 - 16:00	Folding and Evolution Chair: Dror Tobi, Ariel Univ
14:20 – 14:50	Eugene Shakhnovich, Harvard Univ Climbing the scales ladder in computational biology: from atoms to populations
14:50 – 15:20	Richard Goldstein, National Inst of Medical Research, UK Simulating evolution with in silico models of protein thermodynamics: Protein epistasis, convergent evolution, and the Evolutionary Stokes Shift
15:20 – 15:40	Nir Ben Tal, Tel Aviv Univ In silico identification of residues responsible for the emergence of the Influenza A H1N1 2009 pandemic virus
15:40 – 16:00	Emmanuel Levy, Weizmann Institute Promiscuous protein-protein interactions: a burden for the cell and a tool for the biologist
16:00 – 16:30	Coffee break
16:30 - 18:10	Dynamics and Function Chair: Rachel Kolodny, Haifa Univ.
16:30 – 17:00	Ivet Bahar, Univ. of Pittsburgh Functional Significance of Protein Dynamics and Relevance to Protein Evolution and Drug Discovery
17:00 – 17:30	Ruth Nussinov, National Cancer Institute & Tel Aviv Univ The underappreciated role of allostery in the cell and in disease
17:30 – 17:50	Avital Shruki, Hebrew Univ Insights on Catalysis
17:50 – 18:10	Masha Niv, Hebrew Univ On taste and promiscuity: bitter compounds and their receptors

09:00 - 12:20	Nucleic acid structure and dynamics Chair: Yanay Ofran, Bar Ilan Univ
9:00 – 9:30	Richard Lavery, IBCP, France Deconstructing DNA recognition mechanisms
9:30 – 10:00	Stephen Neidle, Univ. College London Quadruplex nucleic acid structure and dynamics
10:00 – 10:30	Modesto Orozco, IRB, Spain Exploring DNA from isolated nucleobases to chromatin.
10:30 – 11:00	Coffee break
11:00 – 11:30	Eric Westhof, Univ of Strasbourg Prediction of RNA Modules and recent progress in RNA Modelling
11:30 – 12:00	Ron Elber, Univ. of Texas at Austin, USA Overcoming the Time Scale Gap of Molecular Dynamics
12:00 – 12:20	Amir Marcovitz, Weizmann Institute Weak Frustration Regulates Sliding and Binding Kinetics on Rugged Protein-DNA Landscapes
	Trip to the dead sea + Jerusalem

09:00 - 12:00	Protein Design Chair: Julia Shifman, Hebrew Univ
9:00 – 9:30	Harel Weinstein, Cornell Univ Computing membrane protein signaling mechanisms in New York: the cost of living in the membrane and dealing with meddling neighbors
9:30 – 9:50	Sarel Fleishman, Weizmann InstituteName Computational design of novel protein-protein interactions: protein-based inhibitors and computational antibody design
9:50 – 10:10	Ora Furman, Hebrew Univ Protein communication via peptides
10:10 – 10:30	Coffee break
10:30 – 11:00	Jeff Saven, Univ of Pennsylvania Designing protein assemblies and crystals
11:00 – 11:20	Gennady Verkhivker, Chapman Univ and UCSD Integrated computational modeling of allosteric regulation in molecular chaperones and protein kinases: A synergistic perspective from structural bioinformtics, biophysical modeling and network analysis
11:20 – 11:40	Gideon Schreiber, Weizmann Institute Basic Principles of Protein-Protein Interactions, towards Design
11:40 – 12:00	Light lunch
12:00 – 14:00	Future directions
	Open discussion on future prospects and challenges in the field of computational molecular biophysics