<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Alamdari, Sarah</dc:creator> <dc:creator>Pfaendtner, Jim</dc:creator> <dc:date>2020-06-22</dc:date> <dc: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.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2020.65</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:3t-b1</dc:identifier> <dc:identifier>mcid:2020.65</dc:identifier> <dc:identifier>oai:materialscloud.org:436</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights> <dc:subject>biomineralization</dc:subject> <dc:subject>molecular dynamics</dc:subject> <dc:subject>metadynamics</dc:subject> <dc:subject>biomimetics</dc:subject> <dc:title>Impact of glutamate carboxylation in the adsorption of the alpha-1 domain of osteocalcin to hydroxyapatite and titania</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>