เปรียบเทียบวิธี

	Molecular Docking	แบบจำลองฟาร์มาโคฟอร์	โครงสร้างเครือข่ายปฏิสัมพันธ์ระหว่างโปรตีน
สาขาวิชา	ชีวสารสนเทศศาสตร์	ชีวสารสนเทศศาสตร์	ชีวสารสนเทศศาสตร์
ตระกูล	Process / pipeline	Process / pipeline	Process / pipeline
ปีกำเนิด	1982	1977	2000
ผู้ริเริ่ม	Irwin Kuntz	Peter Gund	Peter Uetz
ประเภท	Binding prediction pipeline	Pattern-based virtual screening pipeline	Network analysis pipeline
แหล่งต้นตำรับ	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.	Uetz, P., Giot, L., Cagney, G., Mansfield, T. A., Judson, R. S., Knight, J. R., ... & Lomax, J. (2000). A comprehensive analysis of protein-protein interactions in Saccharomyces cerevisiae. Nature, 403(6770), 623-627.
ชื่อเรียกอื่น	protein-ligand docking, binding prediction	pharmacophore pattern recognition, 3D pharmacophore	protein interaction networks, interactome analysis, network topology
ที่เกี่ยวข้อง	4	3	3
สรุป	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.	Protein-protein interaction network analysis identifies and characterizes the structural properties of cellular interaction networks. Pioneered by Uetz and colleagues through large-scale yeast two-hybrid screening, this approach reveals topological features like hubs, modules, and motifs that encode functional organization and disease associations.