SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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31 to 40 of 1,102 Results
osmotic_mp2_mam_MD_sims.part2.rar
Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
RAR Archive - 45.8 GB - MD5: 7e7e9edd5636bc87f219915207f695f3
DATA
MD simulations of methylphosphate with MAM to calculate osmotic pressure from simulation. Please download also part1.
relaxation_times_from_MD.zip
Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 3.2 MB - MD5: 0e9eb8b5eaf9e14932fd29cb66588256
jupyter notebook and python scripts to obtain relaxation times from MD
sampled_structures.zip
Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 47.3 MB - MD5: c0aa66347b03051b6998650cdc8d6d55
Structures obtained from clustering and cropped small boxes
Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Feb 3, 2026 - PN 3-11
Pluhackova, Kristyna, 2026, "Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"", https://doi.org/10.18419/DARUS-5513, DaRUS, V1
GROMACS simulation files, initial and final snapshots (all atoms) as well as simulation trajectories (proteins, ligands, membrane) of (i) beta-arrestin 2 (barr2) in inactive and active form interacting with a membrane with or without PIP2 lipids, (ii) beta2-adrenergic receptor activated by adrenaline and either phosphorylated on S355 and S356 or no...
B2AR-Barr2_corecomplex_noPIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 30.5 GB - MD5: 74c1b7a19a71cbfca0b705570dbe97dc
B2AR-Barr2_corecomplex_PIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 23.1 GB - MD5: f7e25649050ec6d6b23c50965f8f74bb
B2AR-Barr2_coretailcomplex_noPIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 31.0 GB - MD5: bd28816d2ce83b27e27620b2fa32d939
B2AR-Barr2_coretailcomplex_PIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 24.8 GB - MD5: 6999fe03a37fabf48a314a7da62add31
B2AR-Barr2_tailcomplex_noPIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 23.5 GB - MD5: b8ff1b836eafc84d52fead378f784f39
B2AR-Barr2_tailcomplex_PIP.tar.gz
Feb 3, 2026 - Supplementary data to "Roles of ligand, phosphorylation, and membrane in assembling human β2-adrenergic receptor-β-arrestin complexes"
Gzip Archive - 23.2 GB - MD5: ea59ab5d8ddf20f4cb9009f7dc47432c
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