public_safety_dynamic_conformation_dataset_v1.0
收藏资源简介:
Public Safety Dynamic Conformation Dataset v1.0 contains dynamic‑conformation measurements for 89 protein targets across 14 high‑threat pathogen families, including RNA viruses, neglected tropical‑disease pathogens and AMR‑associated bacteria. Structural biology resources such as PDB provide static crystallographic or cryo‑EM snapshots; however, pathogen proteins populate broad conformational ensembles under physiological conditions, which govern immune evasion and druggability. This dataset is generated by the String Dynamic Probe Platform, a force‑field‑independent topological sensing system. Three layers of data are provided:1. Static probe outputs: geometric & topological orthosteric / allosteric features (JSON).2. Multi‑scale dynamic trajectories at 5 000, 20 000, 50 000 and 500 000 steps (HDF5).3. Five‑stage non‑equilibrium quench‑locking results for 24 representative targets, including phase diagrams (JSON, HDF5, PNG). Key metrics include γ_std (Conformational Persistence Index), HBI (Hidden Pocket Index), DS (Dynamic Stability) and CTI (Conformational Transduction Index). This public‑interest release covers SARS‑CoV‑2, influenza, Nipah, RSV, dengue, malaria, leishmaniasis, trypanosomiasis, MRSA, tuberculosis and other priority pathogens.Supplementary technical white‑paper and companion pre‑prints are available within this record.



