A new method to detect related function among proteins independent of sequence and fold homology.

By Stefan Schmitt, Daniel Kuhn, Gerhard Klebe. Journal of Molecular Biology, 2002

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Global organization of a binding site network gives insight into evolution and structure-function relationships of proteins (2017, background): “A functional group is characterized with 5 groups based on its physicochemical property: hydrogen bond donor, acceptor, mixed donor/acceptor, aromatic, and aliphatic 64 .”
An improved branch and bound algorithm for the maximum clique problem (2007, methodology): “Also, these algorithms are used for comparing protein structures, to provide the information about protein function [3] and also the information about possible interactions between proteins [4, 5].”
Predicting protein function from sequence and structural data. (2005, background): “It represents residues as pseudo-centres [27] of a given physio-chemical property and uses geometrical hashing to match binding sites according to these physiochemical properties rather than amino acid identities.”