ICM – a new method for protein modelling and design. Applications to docking and structure prediction from the distorted native conformation.

Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins.

Homology modeling by the ICM method.

The contour-buildup algorithm to calculate the analytical molecular surface.

Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase.

Homology modeling with internal coordinate mechanics: deformation zone mapping and improvements of models via conformational search.

Flexible protein-ligand docking by global energy optimization in internal coordinates.

Contact area difference (CAD): a robust measure to evaluate accuracy of protein models

Do aligned sequences share the same fold?

Prediction of the binding energy for small molecules, peptides and proteins.