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4,711 to 4,720 of 25,631 Results
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
Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
May 8, 2026 - Usability and Sustainability of Simulation Software
Sajith, Durga Lakshmi, 2026, "Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification", https://doi.org/10.18419/DARUS-5914, DaRUS, V1
This dataset contains a training dataset consisting of natural language description-JSON Schema pairs, which can be used to fine-tune LLMs and an evaluation dataset, which can be used to assess the JSON Schema generation capability of LLMs. The evaluation dataset consists of five categories with prompts and their corresponding ground truth schemas....
modification.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 5.6 KB - MD5: f6b4175aea1d4de3bf43e9ba60a4f7d2
nested.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 8.1 KB - MD5: 88c102006c8cae4af230bfe96d88f352
ambiguous.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 4.6 KB - MD5: ad84e5add8d08f1157a188f20934ba17
partial.zip
May 8, 2026 - Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification
ZIP Archive - 5.6 KB - MD5: f2cedf05270b14478291e6f6773a9481
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