PocketQuery (http://pocketquery.csb.pitt.edu) is a web interface for exploring the properties of protein-protein interaction (PPI) interfaces with a focus on the discovery of pr...
Abstract Motivation: Several protein function prediction methods employ structural features captured in three-dimensional (3D) descriptors of biologically relevant sites. These ...
Abstract Illuminating interactions between proteins and small drug molecules is a longstanding challenge in the field of drug discovery. Despite the importance of understanding ...
Computational ( in silico ) methods have been developed and widely applied to pharmacology hypothesis development and testing. These in silico methods include databases, quantit...
Abstract Motivation The identification of novel drug–target (DT) interactions is a substantial part of the drug discovery process. Most of the computational methods that have be...
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