Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets.

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作者： Agnieszka,Karczyńska ^[1] ; Magdalena A,Mozolewska ^[2] ; Paweł,Krupa ^[3] ; Artur,Giełdoń ^[1] ; Krzysztof K,Bojarski ^[1] ; Bartłomiej,Zaborowski ^[1] ; Adam,Liwo ^[4] ; Rafał,Ślusarz ^[1] ; Magdalena,Ślusarz ^[1] ; Jooyoung,Lee ^[5] ; Keehyoung,Joo ^[6] ; Cezary,Czaplewski ^[7]

作者单位： Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland. ^[1] Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; Institute of Computer Science, Polish Academy of Sciences, ul. Jana Kazimierza 5, Warszawa, PL-02668, Poland. ^[2] Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, Warszawa, PL-02668, Poland. ^[3] Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland; School of Computational Sciences, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul, 130-722, Republic of Korea. ^[4] School of Computational Sciences, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul, 130-722, Republic of Korea. ^[5] Center for Advanced Computation, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul, 130-722, Republic of Korea. ^[6] Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308, Gdańsk, Poland. Electronic address: cezary.czaplewski@ug.edu.pl. ^[7]

关键词 Knowledge-based methods Protein structure prediction Replica exchange molecular dynamics Template-based restraints UNRES force field