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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment.
Antoniak A, Biskupek I, Bojarski KK, Czaplewski C, Giełdoń A, Kogut M, Kogut MM, Krupa P, Lipska AG, Liwo A, Lubecka EA, Marcisz M, Maszota-Zieleniak M, Samsonov SA, Sieradzan AK, Ślusarz MJ, Ślusarz R, Wesołowski PA, Ziȩba K. Antoniak A, et al. Among authors: krupa p. J Mol Graph Model. 2021 Nov;108:108008. doi: 10.1016/j.jmgm.2021.108008. Epub 2021 Aug 17. J Mol Graph Model. 2021. PMID: 34419932
Lessons from application of the UNRES force field to predictions of structures of CASP10 targets.
He Y, Mozolewska MA, Krupa P, Sieradzan AK, Wirecki TK, Liwo A, Kachlishvili K, Rackovsky S, Jagiela D, Ślusarz R, Czaplewski CR, Ołdziej S, Scheraga HA. He Y, et al. Among authors: krupa p. Proc Natl Acad Sci U S A. 2013 Sep 10;110(37):14936-41. doi: 10.1073/pnas.1313316110. Epub 2013 Aug 26. Proc Natl Acad Sci U S A. 2013. PMID: 23980156 Free PMC article.
A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions.
Liwo A, Baranowski M, Czaplewski C, Gołaś E, He Y, Jagieła D, Krupa P, Maciejczyk M, Makowski M, Mozolewska MA, Niadzvedtski A, Ołdziej S, Scheraga HA, Sieradzan AK, Slusarz R, Wirecki T, Yin Y, Zaborowski B. Liwo A, et al. Among authors: krupa p. J Mol Model. 2014 Aug;20(8):2306. doi: 10.1007/s00894-014-2306-5. Epub 2014 Jul 15. J Mol Model. 2014. PMID: 25024008 Free PMC article.
Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the UNited RESidue (UNRES) force field for protein simulations.
Sieradzan AK, Krupa P, Scheraga HA, Liwo A, Czaplewski C. Sieradzan AK, et al. Among authors: krupa p. J Chem Theory Comput. 2015 Feb 10;11(2):817-31. doi: 10.1021/ct500736a. J Chem Theory Comput. 2015. PMID: 25691834 Free PMC article.
The UNited RESidue (UNRES) model of polypeptide chains is a coarse-grained model in which each amino-acid residue is reduced to two interaction sites, namely, a united peptide group (p) located halfway between the two neighboring alpha-carbon atoms (Calphas), which serve o …
The UNited RESidue (UNRES) model of polypeptide chains is a coarse-grained model in which each amino-acid residue is reduced to two interact …
Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.
Krupa P, Mozolewska MA, Wiśniewska M, Yin Y, He Y, Sieradzan AK, Ganzynkowicz R, Lipska AG, Karczyńska A, Ślusarz M, Ślusarz R, Giełdoń A, Czaplewski C, Jagieła D, Zaborowski B, Scheraga HA, Liwo A. Krupa P, et al. Bioinformatics. 2016 Nov 1;32(21):3270-3278. doi: 10.1093/bioinformatics/btw404. Epub 2016 Jul 4. Bioinformatics. 2016. PMID: 27378298 Free PMC article.
124 results