date: 2021-01-15T04:51:03Z pdf:PDFVersion: 1.6 pdf:docinfo:title: Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software xmp:CreatorTool: Springer access_permission:can_print_degraded: true subject: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-020-00359-1 pdfa:PDFVersion: A-2b xmpMM:History:Action: converted language: en-US dc:format: application/pdf; version=1.6 pdf:docinfo:custom:robots: noindex pdf:docinfo:creator_tool: Springer access_permission:fill_in_form: true xmpMM:History:When: 2021-01-15T10:20:29Z pdf:encrypted: false dc:title: Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software modified: 2021-01-15T04:51:03Z cp:subject: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-020-00359-1 xmpMM:History:SoftwareAgent: pdfToolbox pdf:docinfo:custom:CrossMarkDomains[1]: springer.com robots: noindex pdf:docinfo:subject: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-020-00359-1 xmpMM:History:InstanceID: uuid:532f9d77-54d4-4e1e-ae89-1aa2e3d449cc pdf:docinfo:creator: Yuriy Khalak meta:author: Gary Tresadern meta:creation-date: 2020-11-21T10:44:07Z pdf:docinfo:custom:CrossmarkMajorVersionDate: 2010-04-23 created: 2020-11-21T10:44:07Z access_permission:extract_for_accessibility: true Creation-Date: 2020-11-21T10:44:07Z pdfaid:part: 2 pdf:docinfo:custom:CrossMarkDomains[2]: springerlink.com pdf:docinfo:custom:doi: 10.1007/s10822-020-00359-1 pdf:docinfo:custom:CrossmarkDomainExclusive: true Author: Gary Tresadern producer: Acrobat Distiller 10.1.8 (Windows) CrossmarkDomainExclusive: true pdf:docinfo:producer: Acrobat Distiller 10.1.8 (Windows) doi: 10.1007/s10822-020-00359-1 pdf:unmappedUnicodeCharsPerPage: 0 dc:description: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-020-00359-1 Keywords: Alchemy,Non-equilibrium free energy calculations,Force field access_permission:modify_annotations: true dc:creator: Gary Tresadern description: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-020-00359-1 dcterms:created: 2020-11-21T10:44:07Z Last-Modified: 2021-01-15T04:51:03Z dcterms:modified: 2021-01-15T04:51:03Z title: Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software xmpMM:DocumentID: uuid:015537b1-c7ae-4d0e-8e65-4683b43e90e9 Last-Save-Date: 2021-01-15T04:51:03Z CrossMarkDomains[1]: springer.com pdf:docinfo:keywords: Alchemy,Non-equilibrium free energy calculations,Force field pdf:docinfo:modified: 2021-01-15T04:51:03Z meta:save-date: 2021-01-15T04:51:03Z Content-Type: application/pdf X-Parsed-By: org.apache.tika.parser.DefaultParser creator: Gary Tresadern pdfaid:conformance: B dc:language: en-US dc:subject: Alchemy,Non-equilibrium free energy calculations,Force field access_permission:assemble_document: true xmpTPg:NPages: 13 pdf:charsPerPage: 4015 access_permission:extract_content: true access_permission:can_print: true CrossMarkDomains[2]: springerlink.com meta:keyword: Alchemy,Non-equilibrium free energy calculations,Force field access_permission:can_modify: true pdf:docinfo:created: 2020-11-21T10:44:07Z CrossmarkMajorVersionDate: 2010-04-23