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Ensemble completeness in conformer sampling: the case of small macrocycles.

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Title: Ensemble completeness in conformer sampling: the case of small macrocycles.
Authors: Seep L; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany., Bonin A; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany., Meier K; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany., Diedam H; Engineering & Technology, Applied Mathematics, Bayer AG, 51368, Leverkusen, Germany., Göller AH; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany. Andreas.goeller@bayer.com.
Source: Journal of cheminformatics [J Cheminform] 2021 Jul 29; Vol. 13 (1), pp. 55. Date of Electronic Publication: 2021 Jul 29.
Publication Type: Journal Article
Journal Info: Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946 (Print) Linking ISSN: 17582946 NLM ISO Abbreviation: J Cheminform Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Seep+L%22">Seep L</searchLink>; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany.<br /><searchLink fieldCode="AU" term="%22Bonin+A%22">Bonin A</searchLink>; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany.<br /><searchLink fieldCode="AU" term="%22Meier+K%22">Meier K</searchLink>; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany.<br /><searchLink fieldCode="AU" term="%22Diedam+H%22">Diedam H</searchLink>; Engineering & Technology, Applied Mathematics, Bayer AG, 51368, Leverkusen, Germany.<br /><searchLink fieldCode="AU" term="%22Göller+AH%22">Göller AH</searchLink>; Pharmaceuticals R&D, Digital Technologies, Bayer AG, 42096, Wuppertal, Germany. Andreas.goeller@bayer.com.
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  Data: <searchLink fieldCode="JN" term="%22101516718%22">Journal of cheminformatics</searchLink> [J Cheminform] 2021 Jul 29; Vol. 13 (1), pp. 55. <i>Date of Electronic Publication: </i>2021 Jul 29.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22BioMed+Central%22">BioMed Central </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101516718 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Print <i>ISSN: </i>1758-2946 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2217582946%22">17582946 </searchLink><i>NLM ISO Abbreviation: </i>J Cheminform <i>Subsets: </i>PubMed not MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=34325738
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        Value: 10.1186/s13321-021-00524-0
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      – Code: eng
        Text: English
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      – TitleFull: Ensemble completeness in conformer sampling: the case of small macrocycles.
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              Text: 2021 Jul 29
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