Conformator: A Novel Method for the Generation of Conformer Ensembles

  • Nils-Ole Friedrich
  • , Florian Flachsenberg
  • , Agnes Meyder
  • , Kai Sommer
  • , Johannes Kirchmair
  • , Matthias Rarey (Corresponding author)

    Publications: Contribution to journalArticlePeer Reviewed

    Original languageEnglish
    Pages (from-to)731-742
    Number of pages12
    JournalJournal of Chemical Information and Modeling
    Volume59
    Issue number2
    DOIs
    Publication statusPublished - 25 Feb 2019

    Austrian Fields of Science 2012

    • 106005 Bioinformatics
    • 301207 Pharmaceutical chemistry

    Keywords

    • Algorithms
    • Cluster Analysis
    • Drug Design
    • Macrocyclic Compounds/chemistry
    • Models, Molecular
    • Molecular Conformation
    • Quantitative Structure-Activity Relationship
    • Time Factors
    • SEARCH
    • DIVERSE
    • MACROCYCLES
    • ALGORITHM
    • VALIDATION
    • ANGLE
    • CATALYST
    • MOLECULES
    • SPACE
    • UNIQUE RING FAMILIES

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