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. |
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| 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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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-023-00524-2 |
