SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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Gzip Archive - 15.4 GB - MD5: c093a7d6140555d18dde48c63771b737
Contains experimental raw data of experiments shown in main figure 3
Gzip Archive - 10.5 GB - MD5: 01e960f19f9587818ed3ea3500733a04
Contains experimental data of experimetns shown in the main figure 5
Gzip Archive - 396.0 MB - MD5: 1c27e5b221e6b2587feec2c46065ac94
Contains experimental raw data of experiments shown in Supplementary Figures 1, 4, 6, 7, 8, 9, 10, 11
Gzip Archive - 57.3 KB - MD5: 6aa48be2d396c701374a3ff994a6ab01
Source data from MD simulations for plots in extended data figure 6
Gzip Archive - 6.1 MB - MD5: 4393309e98f03710270af57ba2fca17c
source files for Supplementary Figures 31-36
Gzip Archive - 26.7 KB - MD5: 6539a2a20a7f62cccb84a8d2d28bcee1
Raw data from MD simulations for plots in main figures 4 and 5
Gzip Archive - 24.9 MB - MD5: e86730598d36a2792c2e4c1045189a95
source files for Supplementary Figures 19-26
Gzip Archive - 31.2 MB - MD5: 3a02c4b863fe8b2b991c8cf62099c1a2
source files for Supplementary Figures 13-18, 27-30, 41-44
Gzip Archive - 4.0 MB - MD5: 80fe134240fda6d5b0bd903bb131b71a
source files for Supplementary Figures 45-48
May 11, 2026 - PN 3-11
Korn, Viktoria Helena; Pluhackova, Kristyna, 2026, "Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"", https://doi.org/10.18419/DARUS-5682, DaRUS, V2
GROMACS simulation files, input and final structures for CHARMM36m MD simulations including our refined parameters for phosphorylated serine in 3 different protonation states. The directory charmm36-jul22mod.ff contains our refined parameters.
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