About: Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method

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About: Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method Goto Sponge NotDistinct Permalink

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scientific article published on 06 August 2018

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 2018 (uk) article scientifique publié en 2018 (fr) im August 2018 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'agostu de 2018 (ast) scientific article published on 06 August 2018 (en)
publication date	wds:Q90797642-D841790B-53E7-4AD0-BF6E-B974C8B10170
publication date	2018-08-06 00:00:00Z (xsd:dateTime)
cites work	wds:Q90797642-D5EB79F7-B20A-49C5-A60A-97C7FC6FFCE4
cites work	A NEW MEASURE OF RANK CORRELATION
rdfs:label	Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (en) Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (nl)
skos:prefLabel	Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (en) Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (nl)
name	Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (en) Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (nl)
author	wds:Q90797642-2A60EE2B-E29E-45B8-AF91-95615DCDFF15 wds:Q90797642-4BE4D947-20C8-4D66-9018-6529918887EF wds:Q90797642-668F6D86-1495-42CE-904C-AFF718C59350 wds:Q90797642-76F775F4-5A74-42EC-BB98-82F6EA4E02D0 wds:Q90797642-C3A1DBD0-240A-40CE-8337-2279FCFD47FA wds:Q90797642-E9714A92-A469-4A78-8402-D50C9DF96677
author	Bernard R Brooks Phillip S Hudson Kyungreem Han Florentina Tofoleanu Michael R Jones Naohiro Nishikawa
title	wds:Q90797642-93E545C8-ADD0-46CC-8936-4B980FD3C8CF
title	Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method (en)
page(s)	wds:Q90797642-8B1C2F82-05F3-4592-B2F7-8C5FDE8E027D
page(s)	1059-1073
instance of	wds:Q90797642-D4D4C087-7B7F-4F9F-B151-5CB33A1AE366
instance of	scholarly article
PubMed ID	wds:Q90797642-29E8CD9D-3724-4D2C-8E12-B0F480FEC867
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/30084077
PubMed ID	30084077
DBLP publication ID	wds:Q90797642-AC6B8FC2-84FF-4922-9B1C-DC8D1BCE1134
DBLP publication ID	https://dblp.org/rec/journals/jcamd/HanHJNTB18
DBLP publication ID	journals/jcamd/HanHJNTB18
published in	wds:Q90797642-3E167925-E75B-41A3-9DCD-31B61F3AF8B8
published in	Journal of Computer - Aided Molecular Design
issue	wds:Q90797642-FF8A5F37-C97A-4727-B01C-38D6C1ACF574
volume	wds:Q90797642-EFB524A2-1884-42AE-899E-62D3A9762EA1
issue	10
volume	32
DOI	wds:Q90797642-6A3BB0A9-0A0F-433A-AD2E-0A63FEEBD744
DOI	http://dx.doi.org/10.1007/S10822-018-0144-8
DOI	10.1007/S10822-018-0144-8
PMCID	wds:Q90797642-AC4AECEE-6122-46E3-BB92-A0B751038EF7
PMCID	6347468
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q90797642
is cites work of	Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host-guest challenges Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative
is cites work of	wds:Q57057117-FB3E51A0-AF13-4D83-8E7B-2CD7E2FA784F wds:Q90654126-F073BC2E-C140-4D30-BD22-D698CBBA39C7 wds:Q57463686-21B39D72-2D9A-4AE8-959C-56165BAE9043

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