Impact of glutamate carboxylation in the adsorption of the alpha-1 domain of osteocalcin to hydroxyapatite and titania

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{
  "metadata": {
    "is_last": false, 
    "version": 1, 
    "title": "Impact of glutamate carboxylation in the adsorption of the alpha-1 domain of osteocalcin to hydroxyapatite and titania", 
    "keywords": [
      "biomineralization", 
      "molecular dynamics", 
      "metadynamics", 
      "biomimetics"
    ], 
    "description": "This record contains files necessary to reproduce enhanced sampling well-tempered metadynamics (wtMTD) and parallel tempering metadynamics in the well-tempered ensemble (PT-MetaD-WTE) simulations in PLUMED using GROMACS 2018.3.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "https://doi.org/10.1039/C9ME00158A", 
        "type": "Journal reference", 
        "citation": "S. Alamdari, J. Pfaendtner, Mol. Syst. Des. Eng., 5, 620-631 (2020)", 
        "comment": "Paper in which the simulations are discussed and analyzed", 
        "doi": "10.1039/C9ME00158A"
      }
    ], 
    "doi": "10.24435/materialscloud:3t-b1", 
    "conceptrecid": "435", 
    "publication_date": "Jun 22, 2020, 19:27:41", 
    "edited_by": 100, 
    "_oai": {
      "id": "oai:materialscloud.org:436"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Dept. of Chemical Engineering, University of Washington, Seattle 98195-1750, USA"
        ], 
        "email": "salamda1@uw.edu", 
        "familyname": "Alamdari", 
        "givennames": "Sarah"
      }, 
      {
        "affiliations": [
          "Dept. of Chemical Engineering, University of Washington, Seattle 98195-1750, USA"
        ], 
        "email": "jpfaendt@uw.edu", 
        "familyname": "Pfaendtner", 
        "givennames": "Jim"
      }
    ], 
    "owner": 135, 
    "license_addendum": null, 
    "mcid": "2020.65", 
    "_files": [
      {
        "size": 21913, 
        "checksum": "md5:2be450904fa082c9d5b54459509e921d", 
        "description": "This file contains all the plumed files necessary to run enhanced sampling jobs described in the corresponding paper", 
        "key": "nest.zip"
      }, 
      {
        "size": 489, 
        "checksum": "md5:93078471f79cb5f4c95ce94c20dfc781", 
        "description": "README file with a description of the contents of the files uploaded", 
        "key": "README"
      }
    ], 
    "id": "436", 
    "status": "published"
  }, 
  "revision": 5, 
  "updated": "2022-04-27T15:40:57.414759+00:00", 
  "created": "2020-06-19T20:09:52.519638+00:00", 
  "id": "436"
}