Utrecht University ETH Zürich


Welcome to our computational chemistry exhibition!

A collaboration of the van Gunsteren group at the ETHZ
and the NMR group at Utrecht University

Our web exhibition program:

(Click on an image to select a topic)

* A molecular modelling view of proteins:
(A contribution from Alexandre Bonvin Utrecht University / ETHZ)

  • What are proteins? (A short introduction)
  • Generating protein 3D structures from experimental NMR data (movies)
  • Protein structure and stability from molecular dynamics simulations (movies)
    		• GO

    * Peptide folding by computer simulations:
    (A contribution from Xavier Daura ETHZ)

  • What are peptides?
  • What is the difference between a peptide and a protein ?
  • What do peptides do in nature?
  • Why are we interested in studying peptide folding? (movie)
    		• GO

    * Protein structure prediction by fold recognition:
    (A contribution from Thomas Huber ETHZ)

  • A pictorial primer
    		• GO

    * Dynamic simulations of lipid bilayers:
    (A contribution from Lukas Schuler ETHZ)

  • What is a biological membrane?
  • Why are such molecules simulated?
  • Views of a membrane simulation (movies)
  • What are the limits of the model?
    		• GO

    * Molecular recognition of carbohydrates:
    (A contribution from Wolfgang Damm ETHZ)

  • What are carbohydrates?
  • Why study carbohydrates?
  • Modeling project
    		• GO

    * Proton transfers from and to biomolecules:
    (A contribution from Salomon Billeter ETHZ)

  • What are proton transfers? A short introduction
  • Why do we need to simulate proton transfers?
  • How to simulate proton transfers in solution
  • Have a look at some examples
    		• GO

    Alexandre Bonvin, version 17-April-98