Fast procedure for reconstruction of full‐atom protein models from reduced representations
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- 14 January 2008
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 29 (9) , 1460-1465
- https://doi.org/10.1002/jcc.20906
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. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008Keywords
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