date: 2019-12-03T10:49:02Z
pdf:PDFVersion: 1.6
pdf:docinfo:title: Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset
xmp:CreatorTool: Springer
access_permission:can_print_degraded: true
subject: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-019-00232-w
pdfa:PDFVersion: A-2b
xmpMM:History:Action: converted
language: EN
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: 2019-12-03T16:17:39Z
pdf:encrypted: false
dc:title: Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset
modified: 2019-12-03T10:49:02Z
cp:subject: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-019-00232-w
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/s10822-019-00232-w
xmpMM:History:InstanceID: uuid:642cca95-2697-44d3-b72a-b4f23d0736ff
pdf:docinfo:creator: Eddy Elisée 
meta:author: Vytautas Gapsys 
meta:creation-date: 2019-11-01T04:54:44Z
pdf:docinfo:custom:CrossmarkMajorVersionDate: 2010-04-23
created: 2019-11-01T04:54:44Z
access_permission:extract_for_accessibility: true
Creation-Date: 2019-11-01T04:54:44Z
pdfaid:part: 2
pdf:docinfo:custom:CrossMarkDomains[2]: springerlink.com
pdf:docinfo:custom:doi: 10.1007/s10822-019-00232-w
pdf:docinfo:custom:CrossmarkDomainExclusive: true
Author: Vytautas Gapsys 
producer: Acrobat Distiller 10.1.8 (Windows)
CrossmarkDomainExclusive: true
pdf:docinfo:producer: Acrobat Distiller 10.1.8 (Windows)
doi: 10.1007/s10822-019-00232-w
pdf:unmappedUnicodeCharsPerPage: 0
dc:description: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-019-00232-w
Keywords: Molecular docking,Free energy calculations,Molecular dynamics,Pmx,D3R challenge,Beta secretase 1,Cathepsin S,Inhibitors
access_permission:modify_annotations: true
dc:creator: Vytautas Gapsys 
description: Journal of Computer-Aided Molecular Design, https://doi.org/10.1007/s10822-019-00232-w
dcterms:created: 2019-11-01T04:54:44Z
Last-Modified: 2019-12-03T10:49:02Z
dcterms:modified: 2019-12-03T10:49:02Z
title: Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset
xmpMM:DocumentID: uuid:91f68d6f-b466-4ae5-9c22-b3a9c891aa3f
Last-Save-Date: 2019-12-03T10:49:02Z
CrossMarkDomains[1]: springer.com
pdf:docinfo:keywords: Molecular docking,Free energy calculations,Molecular dynamics,Pmx,D3R challenge,Beta secretase 1,Cathepsin S,Inhibitors
pdf:docinfo:modified: 2019-12-03T10:49:02Z
meta:save-date: 2019-12-03T10:49:02Z
Content-Type: application/pdf
X-Parsed-By: org.apache.tika.parser.DefaultParser
creator: Vytautas Gapsys 
pdfaid:conformance: B
dc:language: EN
dc:subject: Molecular docking,Free energy calculations,Molecular dynamics,Pmx,D3R challenge,Beta secretase 1,Cathepsin S,Inhibitors
access_permission:assemble_document: true
xmpTPg:NPages: 13
pdf:charsPerPage: 4029
access_permission:extract_content: true
access_permission:can_print: true
CrossMarkDomains[2]: springerlink.com
meta:keyword: Molecular docking,Free energy calculations,Molecular dynamics,Pmx,D3R challenge,Beta secretase 1,Cathepsin S,Inhibitors
access_permission:can_modify: true
pdf:docinfo:created: 2019-11-01T04:54:44Z
CrossmarkMajorVersionDate: 2010-04-23