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Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.

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Title: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
Authors: Jain, Ajay N.1, ajain@jainlab.org, Brueckner, Alexander C.2, Jorge, Christine2, Cleves, Ann E.1, Khandelwal, Purnima2, Cortes, Janet Caceres2, Mueller, Luciano2, luciano.mueller@bms.com
Source: Journal of Computer-Aided Molecular Design; Nov2023, Vol. 37 Issue 11, p519-535, 17p
Database: Applied Science & Technology Source
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Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 171990722
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
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  Data: <searchLink fieldCode="AU" term="%22Jain%2C+Ajay+N%2E%22">Jain, Ajay N.</searchLink><relatesTo>1</relatesTo>, <i>ajain@jainlab.org</i><br /><searchLink fieldCode="AU" term="%22Brueckner%2C+Alexander+C%2E%22">Brueckner, Alexander C.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Jorge%2C+Christine%22">Jorge, Christine</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Cleves%2C+Ann+E%2E%22">Cleves, Ann E.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Khandelwal%2C+Purnima%22">Khandelwal, Purnima</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Cortes%2C+Janet+Caceres%22">Cortes, Janet Caceres</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Mueller%2C+Luciano%22">Mueller, Luciano</searchLink><relatesTo>2</relatesTo>, <i>luciano.mueller@bms.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; Nov2023, Vol. 37 Issue 11, p519-535, 17p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=171990722
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s10822-023-00524-2
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      – Code: eng
        Text: English
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        PageCount: 17
        StartPage: 519
    Titles:
      – TitleFull: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
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            NameFull: Jain, Ajay N.
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            NameFull: Brueckner, Alexander C.
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            NameFull: Jorge, Christine
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            NameFull: Cleves, Ann E.
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            NameFull: Khandelwal, Purnima
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            NameFull: Cortes, Janet Caceres
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            – D: 01
              M: 11
              Text: Nov2023
              Type: published
              Y: 2023
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              Value: 37
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            – TitleFull: Journal of Computer-Aided Molecular Design
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