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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field.
Methods Mol Biol. 2022;2376:399-416. doi: 10.1007/978-1-0716-1716-8_23.
Methods Mol Biol. 2022.
PMID: 34845623
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: golas e.
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.
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Common functionally important motions of the nucleotide-binding domain of Hsp70.
Gołaś EI, Czaplewski C, Scheraga HA, Liwo A.
Gołaś EI, et al.
Proteins. 2015 Feb;83(2):282-99. doi: 10.1002/prot.24731. Epub 2014 Dec 18.
Proteins. 2015.
PMID: 25412765
Free PMC article.
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Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer.
Golas EI, Czaplewski C.
Golas EI, et al.
Biopolymers. 2014 Sep;101(9):915-23. doi: 10.1002/bip.22494.
Biopolymers. 2014.
PMID: 24723330
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Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamics.
Gołaś E, Maisuradze GG, Senet P, Ołdziej S, Czaplewski C, Scheraga HA, Liwo A.
Gołaś E, et al.
J Chem Theory Comput. 2012 May 8;8(5):1750-1764. doi: 10.1021/ct200680g. Epub 2012 Mar 15.
J Chem Theory Comput. 2012.
PMID: 22737044
Free PMC article.
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The quinones of benzocyclobutadiene: a computational study.
Golas E, Lewars E, Liebman JF.
Golas E, et al.
J Phys Chem A. 2009 Aug 27;113(34):9485-9500. doi: 10.1021/jp902868h. Epub 2009 Aug 5.
J Phys Chem A. 2009.
PMID: 19655744
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