D2MD Suite DNA-Drug molecular docking suite
Download

D2MD Suite Ranking & Summary

D2MD Suite Tags

dock molecule molecular docking

D2MD Suite Description

D2MD Suite is a collection of applications that attempts to help automatizing and batch processing the molecular docking studies of DNA-Drug complexes.AutoDock HelperA simple GUI to the AutoGrid and AutoDock programs, in the case the AutoDockTools GUI is too buggy also for you.Requirements:· Java 6· AutoDock 4.2Vina HelperStarting from an AutoDock 4.2 grid file and the ligand PDBQT, this program allows you to perform a docking simulation by AutoDock Vina without having to build any configuration file or recalculate any grid.Requirements:· Java 6· AutoDock 4.2· AutoDock Vina 1.1.2Energy AnalyzerOutput of AutoDock and Vina simulations can be analyzed better with these tools, by doing a mean on all conformations or on a particular RMS cluster set.Requirements:· Java 6· AutoDock 4.2· AutoDock Vina 1.1.2· MGLTools 1.5.6rc2Vina DockingThis programs is a full featured DNA-Drug Vina docking simulation. It's completely automatized since starting from the ligand and DNA PDB files one needs only to select one of the automatically discovered intercalation spaces (or none if blind docking) and start a simulation.Requirements· Java 6· Java 3D 1.5.2· BioJava 3.0.2· AutoDock Vina 1.1.2· MGLTools 1.5.6rc2D2MD Suite is a cross-platform utility capable of running on any operating system that comes with Java support (e.g. Mac OS X, Windows, Linux).

D2MD Suite Related Software