PN 3

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

model_withRec.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 400.8 MB - MD5: 07b6d1ccc6639c98c951bcd17fbd1257
model_withRec_E150A.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 400.5 MB - MD5: 82a5824f8cbbed169f9d904beb9d8154
model_withRec_tip3p.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 394.8 MB - MD5: c8b22b4b5dd577e4036dc91985552306
Rec_mono_active_phosphorylated.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 11.1 GB - MD5: 94b230a461520542b13742eec0b1db2a
Rec_mono_inactive_nonphosphorylated.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 11.0 GB - MD5: 20548c14886efbbeaaf7ddddcd6fd9c3
charmm_input_files.zip Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" ZIP Archive - 519.1 KB - MD5: e8cd7d511d5f6d4a6d9846d82d354bfc Control and input files to run MD simulations in the CHARMM program
charmm_sims.zip Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" ZIP Archive - 60.7 GB - MD5: 8d764425d97e1c221bd7188b8b7bf5a9 DATA native CHARMM MD simulations for sampling conformations
gromacs_topologies.zip Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" ZIP Archive - 10.8 KB - MD5: 4f2c16832db5f2e6711d51f250c7de44 top files for KpS0, KpS1, MP1, and MP2 with our parameters
osmotic_mp1_mam_MD_sims.zip Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" ZIP Archive - 75.2 GB - MD5: bb0f4b312509cfd94cfcf78b65d4dbab DATA MD simulations of methylphosphate with MAM for calculating osmotic pressure from simulation
osmotic_mp2_mam_MD_sims.part1.rar Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" RAR Archive - 70.0 GB - MD5: bcf69d7c189c82287b24be7eb1340376 DATA MD simulations of methylphosphate with MAM to calculate osmotic pressure from simulation. Please download also part2.

model_withRec.tar.gz

Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"

Gzip Archive - 400.8 MB -

model_withRec_E150A.tar.gz

Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"

Gzip Archive - 400.5 MB -

model_withRec_tip3p.tar.gz

Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"

Gzip Archive - 394.8 MB -

Rec_mono_active_phosphorylated.tar.gz

Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"

Gzip Archive - 11.1 GB -