Molecular Docking
Molecular docking hutabiri mwelekeo unaopendelewa wa kufungamana na uwezo wa kufungamana wa ligand (molekuli ndogo) ndani ya mfuko wa kufungamana wa protini. Ilianzishwa na Kuntz na wenzake mwaka 1982, njia hii ya kukokotoa hutafuta nafasi ya kimuundo ili kupata miundo ya ligand-protini yenye nguvu ya kutosha, kuwezesha uchunguzi wa haraka wa maktaba za kemikali kwa ajili ya ugunduzi wa dawa.
Soma mbinu kamili
Ingia kwa akaunti ya bure ili kusoma sehemu hii.
Method map
The neighbourhood of related methods — select a node to explore.
Vyanzo
- 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. DOI: 10.1016/0022-2836(82)90153-X ↗
- Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., & Olson, A. J. (2009). AutoDock4 and AutoDockTools: automated docking with selective receptor flexibility. Journal of Computational Chemistry, 30(16), 2785-2791. DOI: 10.1002/jcc.21256 ↗
- Erickson, J. A., Jalaie, M., Robertson, D. H., Lewis, R. A., & Vieth, M. (2004). Lessons learned from the design and use of a focused library for discovery optimization. Journal of Chemical Information and Computer Sciences, 44(4), 1424-1436. link ↗
Jinsi ya kunukuu ukurasa huu
ScholarGate. (2026, June 3). Molecular Docking and Binding Prediction. ScholarGate. https://scholargate.app/sw/bioinformatics/molecular-docking
Which method?
Set this method beside its closest kin and read them side by side — the library lays the books on the table; the choice is yours.
- Ulinganifu wa KimuundoBioinformatiki↔ compare
- Uundaji wa FarmakoforiBioinformatiki↔ compare
- Muundo wa Mtandao wa Mwingiliano wa Protini-ProtiniBioinformatiki↔ compare
- QSARBioinformatiki↔ compare
Imerejelewa na
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