A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.

ABSTRACT: The large quantity of protein sequences being generated from genomic data has greatly outpaced the throughput of experimental protein structure determining methods and consequently brought urgency to the need for accurate protein structure prediction tools. Reduced resolution, or coarse grained (CG) models, have become a mainstay in computational protein structure prediction perfoming among the best tools available. The quest for high quality generalized CG models presents an extremely challenging yet popular endeavor. To this point, a CG based interaction potential is presented here for the naturally occurring amino acids. In the present approach, three to four heavy atoms and associated hydrogens are condensed into a single CG site. The parameterization of the site-site interaction poten

SUBMITTER: Devane R 

PROVIDER: S-EPMC2725330 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature