เปรียบเทียบวิธี

	การสร้างแบบจำลองโฮโมโลยี	Molecular Docking	แบบจำลองฟาร์มาโคฟอร์
สาขาวิชา	ชีวสารสนเทศศาสตร์	ชีวสารสนเทศศาสตร์	ชีวสารสนเทศศาสตร์
ตระกูล	Process / pipeline	Process / pipeline	Process / pipeline
ปีกำเนิด	1993	1982	1977
ผู้ริเริ่ม	Andrej Sali	Irwin Kuntz	Peter Gund
ประเภท	Comparative structure prediction pipeline	Binding prediction pipeline	Pattern-based virtual screening pipeline
แหล่งต้นตำรับ	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.	Wermuth, C. G., Ganellin, C. R., Lindberg, P., & Mitscher, L. A. (1998). Glossary of terms used in medicinal chemistry. Pure and Applied Chemistry, 70(5), 1129-1143.
ชื่อเรียกอื่น	comparative modeling, template-based modeling	protein-ligand docking, binding prediction	pharmacophore pattern recognition, 3D pharmacophore
ที่เกี่ยวข้อง	4	4	3
สรุป	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.	Pharmacophore modeling identifies the spatial arrangement of molecular features (hydrogen bond donors, acceptors, aromatic rings) that are essential for biological activity. Introduced by Gund in 1977, this ligand-based method creates a three-dimensional pattern that can screen chemical libraries and design new active compounds without requiring receptor structure.