Prof. Dr. Jügen Brickmann, Darmstadt Univ. of Technology and
SusTech GmbH & Co KG, Darmstadt
topics


  Introduction
  Quantification and Localisation of Hydrophobicity
  The Toolkits of Chemoinformatics
  Quantification and Localisation of Hydrophibicity
  Example: Hydrophobicity
  What is Hydrophobicity?
  Hydrophobic Effect and Hydrophobic Interaction
  Visualisation
  Molecular Models
  Molecular Surfaces
  What are Molecular Surfaces good for?
  Partial Similarity
  Shape Complementarity
  Hydrophobilic Surface Area
  Energetics and thermodynamics of molecular recognition
  The MolFESD Concept
  A fast journey through through the theoretical basis
  MolFESD Concept: Physical Basis
  MolFESD Concept: The Partition Coefficient
  MolFESD Concept: Details
  MolFESD Concept: Application to liquid interphase
  What is this all good for?
  MolFESD Concept: Our Sweetness Receptor Model
  The Sweetness Triangle
  Integration area covering the five-membered ring of sucrose



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