Computational Molecular Science and Engineering Forum | |||
| Session 582 - Computational Biology: Systems Modeling I | |||
| 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 | ||
| CoSponsor(s): | Engineering Fundamentals in Life Science | ||
| 582a | Computational Approaches for Prediction of Cross Reactivity in Human Protein Kinome Sridhar Maddipati, Ariel Fernandez, Sangtae Kim | ||
| 582b | Separating True Positive Residue Contacts from False Positive Ones in Proteins, Using Constrained Metropolis Monte Carlo Simulations Spyridon Vicatos, Yiannis N. Kaznessis | ||
| 582c | Atomic Molecular Dynamics of Blood-Clotting Proteins Coray M. Colina, Robert E. Duke, Lalith Perera, Tom Darden, Lee Pedersen | ||
| 582d | W-Sift, a Structural Interactions Based Potency-Wise Screening Technique for Protein-Small Molecule Complexes Ravi Nandigam, Claudio Chuaqui, Juswinder Singh, Sangtae Kim | ||
| 582e | Microarray Data Mining: A Novel Optimization-Based Iterative Clustering Approach to Uncover Biologically Coherent Structures Meng Piao Tan, James R. Broach, Christodoulos A. Floudas | ||
| 582f | Optimization Based Automated Curation of Metabolic Reconstructions Vinay S. Kumar, Madhukar S. Dasika, Priti Pharkya, Anthony Burgard, Costas D. Maranas | ||
| 582g | In Silico Modification of a Bistable Genetic Network to Obtain Oscillatory Expression Patterns Sergio Iadevaia, Nikos Mantzaris | ||
| 582h | Evolution and Changes in the Blosum Matrix and Blocks Database Mark Styczynski, Kyle L. Jensen, Gregory N. Stephanopoulos | ||
See more of Computational Molecular Science and Engineering Forum