*Corresponding author:
Rebecca C. Wade, European Molecular Biology Laboratory, Postfach 10 2209, Meyerhofstrasse 1, 69012 Heidelberg, Germany;
Fax: +49 6221 387 517; e-mail: wade@embl-heidelberg.de
Keywords:
electrostatic potential, hydrophobic potential, similarity index, molecular recognition, protein-ligand interactions
Synopsis:
We describe how similarity indices may be applied to semiquantitatively compare the molecular interaction fields,
such as electrostatic and hydrophobic potentials, of proteins. We then review ways in which this approach has been
used to investigate protein interaction properties in diverse applications ranging from in-depth comparison of pairs
of proteins to large-scale analysis of hundreds of modelled protein structures.
Intl. J. Quant. Chem. (2001) 83, 122-127.