Thursday, November 16, 2006: 3:15 PM-5:45 PM
Union Square 17 & 18 (Hilton San Francisco)
#582 - Computational Biology: Systems Modeling I (21017)
This session is devoted to new developments in the theoretical and computational studies of biological systems. Such systems include protein/DNA interactions, protein/protein interactions, genetic networks, metabolic pathways, signal transduction pathways and inter- or intra-cellular transport of biomolecules. Presentations will focus on theoretical and computational techniques to predict, engineer or analyze the kinetic and thermodynamic properties of these systems. Emphasis will be placed on techniques that enable engineering by connecting molecular-level to macroscopic system-level properties. Additional favored topics include: new biological insights from studies of systems and industrial applications of computationally-driven biological systems engineering. Validation through comparison with experimental results is strongly encouraged.
Chair:Vassily Hatzimanikatis
CoChair:David Klinke
3:15 PMComputational Approaches for Prediction of Cross Reactivity in Human Protein Kinome
Sridhar Maddipati, Ariel Fernandez, Sangtae Kim
3:33 PMSeparating True Positive Residue Contacts from False Positive Ones in Proteins, Using Constrained Metropolis Monte Carlo Simulations
Spyridon Vicatos, Yiannis N. Kaznessis
3:51 PMAtomic Molecular Dynamics of Blood-Clotting Proteins
Coray M. Colina, Robert E. Duke, Lalith Perera, Tom Darden, Lee Pedersen
4:09 PMW-Sift, a Structural Interactions Based Potency-Wise Screening Technique for Protein-Small Molecule Complexes
Ravi Nandigam, Claudio Chuaqui, Juswinder Singh, Sangtae Kim
4:27 PMMicroarray Data Mining: A Novel Optimization-Based Iterative Clustering Approach to Uncover Biologically Coherent Structures
Meng Piao Tan, James R. Broach, Christodoulos A. Floudas
4:45 PMOptimization Based Automated Curation of Metabolic Reconstructions
Vinay S. Kumar, Madhukar S. Dasika, Priti Pharkya, Anthony Burgard, Costas D. Maranas
5:03 PMIn Silico Modification of a Bistable Genetic Network to Obtain Oscillatory Expression Patterns
Sergio Iadevaia, Nikos Mantzaris
5:21 PMEvolution and Changes in the Blosum Matrix and Blocks Database
Mark Styczynski, Kyle L. Jensen, Gregory N. Stephanopoulos

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