Article
CSM-lig: a web server for assessing and comparing protein-small molecule affinities.
Nucleic acids research - 8 Jul 2016
Pires Douglas E V, Ascher David B
Abstract excerpt
Determining the affinity of a ligand for a given protein is a crucial component of drug development and understanding their biological effects. Predicting binding affinities is a challenging and difficult task, and despite being regarded as poorly predictive, scoring functions play an important role in the analysis of molecular docking results. Here, we present CSM-Lig (http://structure.bioc.cam.ac.uk/csm_lig), a...
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