Divide-and-link peptide docking: a fragment-based peptide docking protocol
Lu Sun, Tingting Fu, Dan Zhao, Hongjun Fan, Shijun Zhong
Abstract
and AutoDock CrankPep achieved superior results. DLPepDock performed better than the other 15 docking protocols implemented in nine docking programs (HPepDock, DockThor, rDock, Glide, LeDock, AutoDock, AutoDock Vina, Surflex, and GOLD). The Linux scripts to call the third-party tools and run all the calculations.
Topics & Concepts
AutoDockDocking (animal)Searching the conformational space for dockingProtein–ligand dockingPeptideChemistryMolecular dynamicsComputer scienceProtein structureComputational chemistryVirtual screeningBiochemistryIn silicoGeneMedicineNursingComputational Drug Discovery MethodsProtein Structure and DynamicsRNA and protein synthesis mechanisms