Section outline

• Select section

  Collapse all Expand all

  Ligand-protein docking and computer-aided drug design

  Basel, 12-14 November 2019

  This page is addressed to registered participants. To access course description and application form, please click here.

  For any assistance, please contact training@sib.swiss.

  • Select activity Announcements

    

    Announcements Forum
  • Select activity Feedback - Ligand-protein docking, and Computer-Aided Drug Design

    

    Feedback - Ligand-protein docking, and Computer-Aided Drug Design
• Select section Programme

  Programme

  12 November (9h30-17h30)
  

  Morning

  • Lecture: Introduction to (computer-aided) drug design and molecular recognition
  • Practice: Use of UCSF chimera to analyze protein-ligand complexes.
    

  Afternoon

  • Lecture: Introduction to molecular docking
    
  • Practice: Ligand-protein docking with UCSF Chimera and AutoDock Vina
    

  13 November (8h30-15h)
  

  Morning

  • Lecture: Introduction to molecular screening
    
  • Practice:Ligand-based virtual screening with SwissSimilarity
  • Lecture: Short introduction on target prediction of small molecules
    
  • Practice: Use of SwissTargetPrediction to perform reverse screening.
    

  Afternoon

  • Lecture: Introduction to ADME, pharmacokinetics, druglikeness
  • Practice: Estimate physicochemical, pharmacokinetic, druglike and related properties with SwissADME
  • Lecture: Short introduction to bioisosterism
  • Practice: Use of SwissBioisostere to perform bioisosteric design
    

  14 November (9h-12h)

  • Lecture: Introduction to quantum methods for drug design
  • Practice Use of WebMO to perform quantum chemical calculations
    
• Select section Material

  Material

  Not available