Pattern recognition strategies for molecular surfaces. II. Surface complementarity
Related Experiment Video
Updated: Sep 30, 2026

Electronic Tongue Generating Continuous Recognition Patterns for Protein Analysis
Published on: September 16, 2014
Thomas E Exner1, Matthias Keil, Jürgen Brickmann
1Department of Chemistry, Mathematical Chemistry Research Unit, University of Saskatchewan, 110 Science Place, Saskatoon, SK, Canada, S7N 5C9.
Abstract:
Fuzzy logic based algorithms for the quantitative treatment of complementarity of molecular surfaces are presented. Therein, the overlapping surface patches defined in article I1 of this series are used. The identification of complementary surface patches can be considered as a first step for the solution of molecular docking problems. Standard technologies can then be used for further optimization of the resulting complex structures. The algorithms are applied to 33 biomolecular complexes. After the optimization with a downhill simplex method, for all these complexes one structure was found, which is in very good agreement with the experimental results.
More Related Videos
11:44Surface Enhanced Raman Spectroscopy Detection of Biomolecules Using EBL Fabricated Nanostructured Substrates
Published on: March 20, 2015
07:53Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
Published on: March 1, 2020
Related Concept Videos
Conserved Binding Sites
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally analyses the...
Protein-protein Interfaces
Newman Projections
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
Molecular Models