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Biskupek, Iga; Czaplewski, Cezary; Sawicka, Justyna; Iłowska, Emilia; Dzierżyńska, Maria; Rodziewicz-Motowidło, Sylwia; Liwo, Adam, 2023, "UNRES MREMD-generated all atom structures of aggregated biologically-active peptides", https://doi.org/10.18150/34ELBK, RepOD, V1
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These are UNRES MREMD-generated structures of aggregated biologically-active peptides, converted to all-atom PDB files ready to display in any structure visualizer.
For description see chapter 3 of the related publication.
peptide aggregation; molecular dynamics; replica exchange; UNRES model
Biskupek, I.; Czaplewski, C.; Sawicka, J.; Iłowska, E.; Dzierżyńska, M.; Rodziewicz-Motowidło, S.; Liwo, A. Prediction of Aggregation of Biologically-Active Peptides with the UNRES Coarse-Grained Model. Biomolecules 2022, 12, 1140. https://www.mdpi.com/2218-273X/12/8/1140 doi: 10.3390/biom12081140
CC BY - Creative Commons Attribution 4.0
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