An Automatable Analytical Algorithm for Structure-Based Protein Functional Annotation via Detection of Specific Ligand 3D Binding Sites: Application to ATP (ser/thr Protein Kinases) and GTP (Small Ras-type G-Proteins) Binding Sites
We have developed an analytical, ligand-specific and scalable algorithm that detects a "signature" of the 3D binding site of a given ligand in a protein 3D structure. The said signature is a 3D motif in the form of an irregular tetrahedron whose vertices represent the backbone or side-chai...
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