A novel algorithm is presented which models protein-protein interactions using surface
complementarity. The method is applied to antibody-antigen docking. A steric scoring …

A matching algorithm using surface complementarity between receptor and ligand protein
molecules is outlined. The molecular surfaces are represented by “critical points,” describing …

A typical problem for a docking procedure is how to match two molecules with known 3-D
structure so as to predict the configuration of their complex. A very serious obstacle to …

Antibody–lysozyme and protease–inhibitor complexes are reconstituted by docking
lysozyme as a rigid body onto the combining site of the antibodies and the inhibitors onto the …

A comprehensive docking study was performed on 27 distinct protein‐protein complexes.
For 13 test systems, docking was performed with the unbound X‐ray structures of both the …

We describe here a novel procedure for automated protein docking, based only on
geometric criteria. In our algorithm we project protein surfaces into bi-dimensional matrices; …

A computationally tractable strategy has been developed to refine protein-protein interfaces
that models the effects of side-chain conformational change, solvation and limited rigid-body …

Docking algorithms simulate protein-protein association in molecular assemblies such as
protease-inhibitor or antigen-antibody complexes by reconstituting the complexes from their …

A method is described to dock a ligand into a binding site in a protein on the basis of the
complementarity of the inter‐molecular atomic contacts. Docking is performed by …

Many protein–protein docking algorithms generate numerous possible complex structures
with only a few of them resembling the native structure. The major challenge is choosing the …