Mozolewska MA - Search Results

1

UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations.

Krupa P, Karczyńska AS, Mozolewska MA, Liwo A, Czaplewski C. Krupa P, et al. Among authors: mozolewska ma. Bioinformatics. 2021 Jul 12;37(11):1613-1615. doi: 10.1093/bioinformatics/btaa897. Bioinformatics. 2021. PMID: 33079977

2

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: mozolewska ma. 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.

3

Studies of conformational changes of an arginine-binding protein from Thermotoga maritima in the presence and absence of ligand via molecular dynamics simulations with the coarse-grained UNRES force field.

Lipska AG, Sieradzan AK, Krupa P, Mozolewska MA, D'Auria S, Liwo A. Lipska AG, et al. Among authors: mozolewska ma. J Mol Model. 2015 Mar;21(3):64. doi: 10.1007/s00894-015-2609-1. Epub 2015 Mar 3. J Mol Model. 2015. PMID: 25731877

4

Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field.

Krupa P, Mozolewska MA, Joo K, Lee J, Czaplewski C, Liwo A. Krupa P, et al. Among authors: mozolewska ma. J Chem Inf Model. 2015 Jun 22;55(6):1271-81. doi: 10.1021/acs.jcim.5b00117. Epub 2015 May 22. J Chem Inf Model. 2015. PMID: 25965196

5

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. Among authors: mozolewska ma. Bioinformatics. 2016 Nov 1;32(21):3270-3278. doi: 10.1093/bioinformatics/btw404. Epub 2016 Jul 4. Bioinformatics. 2016. PMID: 27378298 Free PMC article.

6

Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field.

Mozolewska MA, Krupa P, Zaborowski B, Liwo A, Lee J, Joo K, Czaplewski C. Mozolewska MA, et al. J Chem Inf Model. 2016 Nov 28;56(11):2263-2279. doi: 10.1021/acs.jcim.6b00189. Epub 2016 Oct 28. J Chem Inf Model. 2016. PMID: 27749055

7

Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.

Karczyńska AS, Czaplewski C, Krupa P, Mozolewska MA, Joo K, Lee J, Liwo A. Karczyńska AS, et al. Among authors: mozolewska ma. J Comput Chem. 2017 Dec 5;38(31):2730-2746. doi: 10.1002/jcc.25070. Epub 2017 Sep 22. J Comput Chem. 2017. PMID: 28940211

8

Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information.

Karczyńska AS, Mozolewska MA, Krupa P, Giełdoń A, Liwo A, Czaplewski C. Karczyńska AS, et al. Among authors: mozolewska ma. Proteins. 2018 Mar;86 Suppl 1:228-239. doi: 10.1002/prot.25421. Epub 2017 Nov 29. Proteins. 2018. PMID: 29134679

9

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

Karczyńska A, Mozolewska MA, Krupa P, Giełdoń A, Bojarski KK, Zaborowski B, Liwo A, Ślusarz R, Ślusarz M, Lee J, Joo K, Czaplewski C. Karczyńska A, et al. Among authors: mozolewska ma. J Mol Graph Model. 2018 Aug;83:92-99. doi: 10.1016/j.jmgm.2018.05.008. Epub 2018 May 24. J Mol Graph Model. 2018. PMID: 29860162

10

Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment.

Lubecka EA, Karczyńska AS, Lipska AG, Sieradzan AK, Ziȩba K, Sikorska C, Uciechowska U, Samsonov SA, Krupa P, Mozolewska MA, Golon Ł, Giełdoń A, Czaplewski C, Ślusarz R, Ślusarz M, Crivelli SN, Liwo A. Lubecka EA, et al. Among authors: mozolewska ma. J Mol Graph Model. 2019 Nov;92:154-166. doi: 10.1016/j.jmgm.2019.07.013. Epub 2019 Jul 26. J Mol Graph Model. 2019. PMID: 31376733

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