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Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins. 2021 Dec;89(12):1800-1823. doi: 10.1002/prot.26222. Epub 2021 Sep 13.
Proteins. 2021.
PMID: 34453465
Free PMC article.
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: wesolowski pa.
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
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On the need to introduce environmental characteristics in ab initio protein structure prediction using a coarse-grained UNRES force field.
Roterman I, Sieradzan A, Stapor K, Fabian P, Wesołowski P, Konieczny L.
Roterman I, et al.
J Mol Graph Model. 2022 Jul;114:108166. doi: 10.1016/j.jmgm.2022.108166. Epub 2022 Mar 18.
J Mol Graph Model. 2022.
PMID: 35325843
Free article.
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Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins.
Lipska AG, Antoniak AM, Wesołowski P, Warszawski A, Samsonov SA, Sieradzan AK.
Lipska AG, et al.
J Mol Model. 2022 Jun 24;28(7):201. doi: 10.1007/s00894-022-05154-3.
J Mol Model. 2022.
PMID: 35748949
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Energy landscapes for proteins described by the UNRES coarse-grained potential.
Wesołowski PA, Sieradzan AK, Winnicki MJ, Morgan JWR, Wales DJ.
Wesołowski PA, et al.
Biophys Chem. 2023 Dec;303:107107. doi: 10.1016/j.bpc.2023.107107. Epub 2023 Sep 12.
Biophys Chem. 2023.
PMID: 37862761
Free article.
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Multilevel Framework for Analysis of Protein Folding Involving Disulfide Bond Formation.
Wesołowski PA, Wales DJ, Pracht P.
Wesołowski PA, et al.
J Phys Chem B. 2024 Apr 4;128(13):3145-3156. doi: 10.1021/acs.jpcb.4c00104. Epub 2024 Mar 21.
J Phys Chem B. 2024.
PMID: 38512062
Free PMC article.
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CREST-A program for the exploration of low-energy molecular chemical space.
Pracht P, Grimme S, Bannwarth C, Bohle F, Ehlert S, Feldmann G, Gorges J, Müller M, Neudecker T, Plett C, Spicher S, Steinbach P, Wesołowski PA, Zeller F.
Pracht P, et al. Among authors: wesolowski pa.
J Chem Phys. 2024 Mar 21;160(11):114110. doi: 10.1063/5.0197592.
J Chem Phys. 2024.
PMID: 38511658
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