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Long-time scale simulations of virus-like particles from three human-norovirus strains.
J Comput Chem. 2023 Jun 15;44(16):1470-1483. doi: 10.1002/jcc.27087. Epub 2023 Feb 17.
J Comput Chem. 2023.
PMID: 36799410
Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins.
Sieradzan AK, Sans-Duñó J, Lubecka EA, Czaplewski C, Lipska AG, Leszczyński H, Ocetkiewicz KM, Proficz J, Czarnul P, Krawczyk H, Liwo A.
Sieradzan AK, et al. Among authors: czarnul p.
J Comput Chem. 2023 Feb 5;44(4):602-625. doi: 10.1002/jcc.27026. Epub 2022 Nov 15.
J Comput Chem. 2023.
PMID: 36378078
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UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales.
Ocetkiewicz KM, Czaplewski C, Krawczyk H, Lipska AG, Liwo A, Proficz J, Sieradzan AK, Czarnul P.
Ocetkiewicz KM, et al. Among authors: czarnul p.
Bioinformatics. 2023 Jun 1;39(6):btad391. doi: 10.1093/bioinformatics/btad391.
Bioinformatics. 2023.
PMID: 37338530
Free PMC article.
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