SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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21 to 30 of 1,102 Results
Extended_data_Fig6_MDsourcedata.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 57.3 KB - MD5: 6aa48be2d396c701374a3ff994a6ab01
Source data from MD simulations for plots in extended data figure 6
interactionenergy-arrestin-membrane_plots.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 6.1 MB - MD5: 4393309e98f03710270af57ba2fca17c
source files for Supplementary Figures 31-36
Main_Figures4-5_MDsourcedata.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 26.7 KB - MD5: 6539a2a20a7f62cccb84a8d2d28bcee1
Raw data from MD simulations for plots in main figures 4 and 5
pca_plots.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 24.9 MB - MD5: e86730598d36a2792c2e4c1045189a95
source files for Supplementary Figures 19-26
rmsd_data_4_plots.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 31.2 MB - MD5: 3a02c4b863fe8b2b991c8cf62099c1a2
source files for Supplementary Figures 13-18, 27-30, 41-44
TM3-TM6-distance-B2ARonly_plots.tar.gz
Jun 11, 2026 - Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 4.0 MB - MD5: 80fe134240fda6d5b0bd903bb131b71a
source files for Supplementary Figures 45-48
charmm36-jul2022mod.ff.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 1.1 MB - MD5: e5e758a42a7a04a3af52bd2a3746f599
Ready-to-use CHARMM36m force field with our parameters for phosphorylated aminoacids
charmm_toppar_mod.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 1.4 MB - MD5: 10d788673880f41321b528dd43b8b042
Patched CHARMM36m force field files for CHARMM with our parameters
nmr_MD_sims.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 19.4 GB - MD5: bd30ce5c884d7dda4d9bb1b00d847840
DATA
MD sims for calculating relaxation times and Excel sheet with all datapoints, including experimental values.
osmotic_experimental.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 53.9 KB - MD5: b871e4cc529a90ef9fc5fa93bf225b63
Measured osmotic concentration values for MPA and MAM
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