PN 3

SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"

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11 to 20 of 1,062 Results

model_r135-213.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 146.5 MB - MD5: a47f5eb82224a709f16aefee52e59af3
model_r139-213.tar.gz Feb 10, 2026 - Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira" Gzip Archive - 136.3 MB - MD5: 835b20e440d75e90c4fb314474762afd
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
charmm36-jul2022mod.ff.zip Feb 10, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching" ZIP Archive - 1.1 MB - MD5: 7f7d798ec1ba37cad7121a7a7e1a16b3 Ready-to-use CHARMM36m force field with our parameters for phosphorylated aminoacids
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

model_r135-213.tar.gz

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

Gzip Archive - 146.5 MB -

model_r139-213.tar.gz

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

Gzip Archive - 136.3 MB -

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 -