Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field

Author:

Krupa Paweł1,Mozolewska Magdalena A.1,Joo Keehyoung,Lee Jooyoung,Czaplewski Cezary1,Liwo Adam1

Affiliation:

1. Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland

Funder

Foundation For Polish Science

National Research Foundation of Korea

Narodowe Centrum Nauki

European Regional Development Fund

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Reference51 articles.

1. Grishin, N. V.Predictive Landscape of CASP. Presented at the CASP10 meeting.http://www.predictioncenter.org/casp10/doc/presentations/CASP10_Keynote_NG.pdf(accessed April 28, 2015) .

2. Calculation of protein conformation by global optimization of a potential energy function

3. Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins

4. Liwo, A.; Czaplewski, C.; Ołdziej, S.; Rojas, A. V.; Kaźmierkiewicz, R.; Makowski, M.; Murarka, R. K.; Scheraga, H. A.InCoarse-Graining of Condensed Phase and Biomolecular Systems;Voth, G., Ed.CRC Press:Boca Raton, FL, 2008; Chapter 8, pp1391–1411.

5. Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: Application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K

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