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Sawicka, Justyna; Bollin, Piotr; Sylla, Anna; Panasiuk, Mirosława; Wilkowska, Michalina; Ciołek, Lidia; Leśniewski, Mateusz; Konopka, Aleksandra; Struniawski, Karol; Całka-Kuc, Gabriela; Liwo, Józef Adam; Hańczyc, Piotr; Kozak, Maciej; Gromadzka, Beata; Biernat, Monika; Rodziewicz-Motowidło, Sylwia, 2025, "Raw data of coarse-grained simulations of the ug46 antibacterial peptide", https://doi.org/10.18150/A08HJT, RepOD, V1
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This data set contains the files pertaining to coarse-grained simulations with UNRES of the ug64 system. The archived subdirectories contain the input files for UNRES MREMD simulations, WHAM processing, clustering and resulting PDB and output files.
See readme.txt for details.
peptides, fibrils, antimicrobial properties, chitosan-bioglass, biomaterial applications, composite biomaterials
Sawicka, Justyna, Piotr Bollin, Anna Sylla, Mirosława Panasiuk, Michalina Wilkowska, Lidia Ciołek, Mateusz Leśniewski, i in. 2025. „Design and Characterization of Antibacterial Peptide Nanofibrils as Components of Composites for Biomaterial Applications”. Current Protein & Peptide Science 26:875–95. https://doi.org/10.2174/0113892037353453241219185311 doi: 10.2174/0113892037353453241219185311
CC BY - Creative Commons Attribution 4.0
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