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Integrative Geometric-Hashing Approaches to Binding Site Modeling and Ligand-Protein Interaction Prediction
[chapter]
Advances in Visual Computing
The function of a protein is dependent on whether and how it can interact with various ligands. Therefore, an accurate prediction of protein-ligand interactions is paramount to understanding proteins' biological mechanisms and hence to the development of therapeutic agents. A ligand is most likely to bind in the largest pocket on the surface of the protein. Moreover, it requires that the pocket meets certain structural and geometric criteria that allow the ligand to "anchor" in place by forming
doi:10.1007/978-3-540-76858-6_18
dblp:conf/isvc/Lipinski-KruszkaS07
fatcat:ux3crdk5pbf6jea6vglgmqsu5e