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

Rigid-body docking of two molecules involves matching of their surfaces. A successful
docking methodology considers two key issues: molecular surface representation, and …

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

Here we carry out an examination of shape complementarity as a criterion in protein‐protein
docking and binding. Specifically, we examine the quality of shape complementarity as a …

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; …

Biological complexes typically exhibit intermolecular interfaces of high shape
complementarity. Many computational docking approaches use this surface …

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 …

A geometric docking algorithm based upon correlation analysis for quantification of
geometric complementarity between protein molecular surfaces in close interfacial contact …

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 …