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Use of Metadynamics in the Design of isoDGR‐Based αvβ3 Antagonists To Fine‐Tune the Conformational Ensemble |
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| Authors: | Andrea Spitaleri Michela Ghitti Silvia Mari Luca Alberici Catia Traversari Gian‐Paolo Rizzardi Giovanna Musco |
| Abstract: | |
| Keywords: | Konformationen Metadynamik Molekü ldynamik Rezeptor‐Ligand‐Wechselwirkungen Wirkstoffentwicklung |