COMPUTER ALGORITHM FOR MODELING PROTEIN STRUCTURE

University Of Md Biotechnology Institute, Baltimore MD

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Abstract

DESCRIPTION: In this revised application of his competitive renewal, Dr. Moult proposes to understand the relationship between protein structure and sequence by extending present computational search algorithms and analyzing free energy functions, as well as investigating potentials based on alternative physical methods. Dr. Moult will test and extend Monte Carlo, genetic algorithm and other co-operative algorithmic conformational search methods, test and improve potentials, use folding simulation methods to probe the extent of context independent conformational choice in fragments of protein structures and to investigate the folding of protein domains by propagation methods.