Fast procedure for reconstruction of full-atom protein models from reduced representations. Export

@article{citeulike:2240107, abstract = {We introduce PULCHRA, a fast and robust method for the reconstruction of full-atom protein models starting from a reduced protein representation. The algorithm is particularly suitable as an intermediate step between coarse-grained model-based structure prediction and applications requiring an all-atom structure, such as molecular dynamics, protein-ligand docking, structure-based function prediction, or assessment of quality of the predicted structure. The accuracy of the method was tested on a set of high-resolution crystallographic structures as well as on a set of low-resolution protein decoys generated by a protein structure prediction algorithm TASSER. The method is implemented as a standalone program that is available for download from http://cssb.biology.gatech.edu/skolnick/files/PULCHRA.}, address = {Burnham Institute for Medical Research, 10901 N. Torrey Pines Road, La Jolla, California 92037; Center for the Study of Systems Biology, Georgia Institute of Technology, 250, 14th Street NW, Atlanta, Georgia 30318}, author = {Rotkiewicz, Piotr and Skolnick, Jeffrey}, citeulike-article-id = {2240107}, citeulike-linkout-0 = {http://dx.doi.org/10.1002/jcc.20906}, citeulike-linkout-1 = {http://view.ncbi.nlm.nih.gov/pubmed/18196502}, citeulike-linkout-2 = {http://www.hubmed.org/display.cgi?uids=18196502}, citeulike-linkout-3 = {http://www3.interscience.wiley.com/cgi-bin/abstract/117885015/ABSTRACT}, day = {15}, doi = {10.1002/jcc.20906}, issn = {1096-987X}, journal = {Journal of computational chemistry}, keywords = {bioinformatics, protein, rotamers}, month = {July}, number = {9}, pages = {1460--1465}, posted-at = {2009-02-07 11:23:36}, priority = {2}, title = {Fast procedure for reconstruction of full-atom protein models from reduced representations.}, url = {http://dx.doi.org/10.1002/jcc.20906}, volume = {29}, year = {2008} }

TY - JOUR ID - citeulike:2240107 L3 - citeulike-article-id:2240107 N2 - We introduce PULCHRA, a fast and robust method for the reconstruction of full-atom protein models starting from a reduced protein representation. The algorithm is particularly suitable as an intermediate step between coarse-grained model-based structure prediction and applications requiring an all-atom structure, such as molecular dynamics, protein-ligand docking, structure-based function prediction, or assessment of quality of the predicted structure. The accuracy of the method was tested on a set of high-resolution crystallographic structures as well as on a set of low-resolution protein decoys generated by a protein structure prediction algorithm TASSER. The method is implemented as a standalone program that is available for download from http://cssb.biology.gatech.edu/skolnick/files/PULCHRA. IS - 9 JF - Journal of computational chemistry SN - 1096-987X AD - Burnham Institute for Medical Research, 10901 N. Torrey Pines Road, La Jolla, California 92037; Center for the Study of Systems Biology, Georgia Institute of Technology, 250, 14th Street NW, Atlanta, Georgia 30318 EP - 1465 TI - Fast procedure for reconstruction of full-atom protein models from reduced representations. VL - 29 SP - 1460 KW - bioinformatics KW - protein KW - rotamers AU - Rotkiewicz, Piotr AU - Skolnick, Jeffrey PY - 2008/07/15/ UR - http://dx.doi.org/10.1002/jcc.20906 ER -