A fast flexible docking method using an incremental construction algorithm.

Keywords

Docking (animal), Ligand (biochemistry), Algorithm, Searching the conformational space for docking, Protein–ligand docking

References

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Cited by

• Solving motion planning problems by iterative relaxation of constraintsO. Burçhan Bayazıt, Nancy M. Amato — 2003
• A model for the function of the bisphosphorylated heart-specific troponin-I N-terminusSyntaxys — 1998
• Life-science applications of the Cambridge Structural Database.Robin Taylor — 2002
• CHAPTER 4Genetic algorithms in molecular modelling: a reviewAlessandro Maiocchi — 2003
• 1,2-Dithiole-3-Ones as Potent Inhibitors of the Bacterial 3-Ketoacyl Acyl Carrier Protein Synthase III (FabH)Julio Saúllo — 2004
• Enzyme Binding Selectivity Prediction: alpha-Thrombin vs Trypsin InhibitionB. Oestman — 2004
• Docking and scoring in virtual screening for drug discovery: methods and applicationsWilfried Siebe — 2004
• Cyclophilin A Binds to Linear Peptide Motifs Containing a Consensus That Is Present in Many Human Proteins*Axel Radnäs — 2005
• Combining docking and molecular dynamic simulations in drug designFernando Larcher, Marcela Del Río, José L. Jorcano — 2006
• Yucca: An Efficient Algorithm for Small‐Molecule DockingCharles H. Fairbanks — 2005
• How reliable are current docking approaches for structure-based drug design? Lessons from aldose reductase.Ruth Grant Kalischuk — 2007
• Salicylaldehyde derivatives as new protein kinase CK2 inhibitors.Roberto Piazza — 2008
• Synthesis, biological active molecular design, and molecular docking study of novel deazaflavin-cholestane hybrid compounds.Machiko Niimi — 2008
• A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarity宏之 秋場 — 2010
• New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insightsMiriam López‐Ramos, Renaud Prudent, Virginie Moucadel — 2010
• Structural investigations of anthranilimide derivatives by CoMFA and CoMSIA 3D-QSAR studies reveal novel insight into their structures toward glycogen phosphorylase inhibition洋徳 嶋田, 泰子 戸ヶ崎, 正江 三浦 — 2011
• Novel Inhibitors of Trihydroxynaphthalene Reductase with Antifungal Activity Identified by Ligand-Based and Structure-Based Virtual ScreeningMelba Cabrera Lejardi, R. Cristóbal Suárez, Ignacio Álvarez Lanzarote — 2011
• AADS - An Automated Active Site Identification, Docking, and Scoring Protocol for Protein Targets Based on Physicochemical DescriptorsOsvaldo Sánchez — 2011
• Role of a SpoVA Protein in Dipicolinic Acid Uptake into Developing Spores of Bacillus subtilis政英 富井 — 2012
• QuickVina: Accelerating AutoDock Vina Using Gradient-Based Heuristics for Global OptimizationN.H. Christensen — 2012

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