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1 to 10 of 20,800 Results
ba-thermal-plume-v1.0.0-code.zip
May 11, 2026 - Trained Neural Networks on Simulated Data of Groundwater Heat Plume Characteristics
ZIP Archive - 51.8 KB - MD5: d03bca7e27887dc3b1e293cfd3711e1d
Inference source code (release branch): Python package with CLI (ba-predict), MLP and random-weight network implementations, dataset configurations, sample inputs, Dockerfile, and installation files. No model weights included.
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
osmotic_mp2_ions_MD_sims.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 12.0 GB - MD5: e87671fc468f8473d2071eb6cbfab36a
DATA
osmotic pressure simulations of MP2 with sodium and guanidinium. Also simulations of MP2 with original charmm params scaled to -1 and MP2-1MAM with charge shifted from P to C
protein_simulations.zip
May 11, 2026 - Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"
ZIP Archive - 45.5 MB - MD5: 56a4af1e874bb6a8c90083dc1b152582
Anti-Sigma Factor Antagonist SpoIIAA simulations wild type and phosphorylated
ambiguous.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 6.6 KB - MD5: 99a99e66bc33da7d39153bf58c5fb02c
ambiguous.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 5.1 KB - MD5: 2c80f30d48e9de60ee0e04f3503ed6d6
ambiguous.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 28.4 KB - MD5: 21709161ca49174365027d8c17c93f83
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