作者
Agnieszka S Karczyńska, Karolina Ziȩba, Urszula Uciechowska, Magdalena A Mozolewska, Paweł Krupa, Emilia A Lubecka, Agnieszka G Lipska, Celina Sikorska, Sergey A Samsonov, Adam K Sieradzan, Artur Giełdoń, Adam Liwo, Rafał Ślusarz, Magdalena Ślusarz, Jooyoung Lee, Keehyoung Joo, Cezary Czaplewski
发表日期
2020/1/30
期刊
Journal of Chemical Information and Modeling
卷号
60
期号
3
页码范围
1844-1864
出版商
American Chemical Society
简介
The method for protein-structure prediction, which combines the physics-based coarse-grained UNRES force field with knowledge-based modeling, has been developed further and tested in the 13th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP13). The method implements restraints from the consensus fragments common to server models. In this work, the server models to derive fragments have been chosen on the basis of quality assessment; a fully automatic fragment-selection procedure has been introduced, and Dynamic Fragment Assembly pseudopotentials have been fully implemented. The Global Distance Test Score (GDT_TS), averaged over our “Model 1” predictions, increased by over 10 units with respect to CASP12 for the free-modeling category to reach 40.82. Our “Model 1” predictions ranked 20 and 14 for all and free-modeling targets …
引用总数
20212022202320243523
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