☆ 4.8 Article

Use of Metadynamics in the Design of isoDGR-Based alpha nu beta 3 Antagonists To Fine-Tune the Conformational Ensemble

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)

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Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 50, Issue 8, Pages 1832-1836

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201007091

Keywords

conformational sampling; drug design; metadynamics; molecular dynamics; receptor-ligand interactions

Categories

Chemistry, Multidisciplinary

Funding

  1. Italian Ministry of Research (FIRB)
  2. Fondazione Telethon Funding Source: Custom

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