Compară metode

	Modelare prin omologie	Docarea moleculară
Domeniu	Bioinformatică	Bioinformatică
Familie	Process / pipeline	Process / pipeline
Anul apariției	1993	1982
Autorul original	Andrej Sali	Irwin Kuntz
Tip	Comparative structure prediction pipeline	Binding prediction pipeline
Sursa seminală	Sali, A. & Blundell, T. L. (1993). Comparative protein modelling by satisfaction of spatial restraints. Journal of Molecular Biology, 234(3), 779-815.	Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R., & Ferrin, T. E. (1982). A geometric approach to macromolecule-ligand interactions. Journal of Molecular Biology, 161(2), 269-288.
Denumiri alternative	comparative modeling, template-based modeling	protein-ligand docking, binding prediction
Înrudite	4	4
Rezumat	Homology modeling, also called comparative modeling, predicts the three-dimensional structure of a protein using an experimentally-solved structure of a homologous protein as a template. Introduced by Sali and Blundell in 1993, this method exploits the principle that homologous proteins share similar spatial structures despite differing in amino acid sequence.	Molecular docking predicts the preferred binding orientation and affinity of a ligand (small molecule) within a protein binding pocket. Pioneered by Kuntz and colleagues in 1982, this computational method searches conformational space to find energetically favorable ligand-protein complexes, enabling rapid screening of chemical libraries for drug discovery.