Computational Structural Biology
Prof. Amedeo Caflisch
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Movie Gallery
Folding of an alpha-helical cross-linked peptide
views: 127/140
Alpha-Helix folding in the presence of structural constraints.
Bulky Side Chains and Non-native Salt Bridges Slow down the Folding of a Cross-Linked Helical Peptide: A Combined Molecular Dynamics and Time-Resolved Infrared Spectroscopy Study.
Simulation of fibril formation on lipid vesicle
views: 100/116
Amyloid Aggregation on Lipid Bilayers and Its Impact on Membrane Permeability.
Docking procedure
views: 229/297
In silico discovery of beta-secretase inhibitors.
Efficient electrostatic solvation model for protein-fragment docking.
Fragment-Based flexible ligand docking by evolutionary optimization.
Exhaustive docking of molecular fragments with electrostatic solvation.
Simulation of Fibril Formation
views: 190/246
Interpreting the aggregation kinetics of amyloid peptides.
Pathways and intermediates of amyloid fibril formation.
Folding and unfolding of the three-stranded beta-sheet peptide beta3s
views: 264/288
Evaluation of a fast implicit solvent model for molecular dynamics simulations.
The protein folding network.
Kinetic analysis of molecular dynamics simulations reveals changes in the denatured state and switch of folding pathways upon single-point mutation of a beta-sheet miniprotein.
Folding simulations of a three-stranded antiparallel beta -sheet peptide.