Binding Site Comparison - Software and Applications

This article provides an overview of different binding site comparison software, the underlying algorithms, and successful applications. After a short introduction of binding site characteristics and their representation, the article provides insights into the model principles, their definitions, and measures for binding site similarity. The broad variety of approaches is represented by an exemplary selection of useful applications, especially in medicinal chemistry. Although this text is by no means a complete review of software tools and applications, it offers a foundation for further reading and allows for an easy access to this largely underestimated field of molecular modeling.

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