.zenodo.json

{
  "title": "PocketDock: Automated Molecular Docking Pipeline",
  "description": "A web-based platform for protein pocket prediction (P2Rank), ligand docking (AutoDock Vina), ADMET profiling (RDKit), ensemble-receptor generation (NMA / OpenMM MD), pose refinement (OpenMM), and approximate MM-GBSA rescoring.",
  "license": "MIT",
  "upload_type": "software",
  "access_right": "open",
  "creators": [
    {
      "name": "ÖZSARI, Gökhan",
      "affiliation": "Chalmers University of Technology"
    }
  ],
  "keywords": [
    "molecular-docking",
    "autodock-vina",
    "p2rank",
    "drug-discovery",
    "virtual-screening",
    "ensemble-docking",
    "admet",
    "mm-gbsa",
    "openmm",
    "rdkit",
    "cheminformatics",
    "binding-pocket-prediction",
    "interaction-analysis",
    "batch-docking"
  ],
  "related_identifiers": [
    {
      "identifier": "https://github.com/gozsari/PocketDock",
      "relation": "isSupplementTo",
      "scheme": "url"
    }
  ]
}