The next D5 Seminar, “Interactive molecular visualization and simulation: examples with UDock and VTX” will be held by Pr. Matthieu Montes, from Le CNAM, laboratory of Génomique, bioinformatique et chimie moléculaire (GBCM). The event will take place on Friday, February 28 at 10:30 a.m. in room A008.
UDock (available at https://udock.fr and on gitlab): Originally developed to gamify protein-protein docking, UDock is now an interactive multibody molecular docking software designed to explore protein interactions for research purposes but also for teaching and popularization of science due to its high usability. In UDock, the users tackle the conformational space of protein interfaces using an intuitive real-time docking procedure with on-the-fly scoring. UDock2 integrates traditional computer graphics methods to facilitate the visualization and to provide better insight into protein surfaces, interfaces, and properties.
VTX (available at http://vtx.drugdesign.fr and on github), is a high-performance molecular visualization software. VTX is optimized to handle efficiently the big data from High Performance Computing Molecular Dynamics Simulation. Its high-performance 3D engine includes cutting-edge computer graphics methods capable of handling large and dynamic molecular scenes on a standard laptop computer. It also offers a video game based minimalistic task-oriented graphical user interface to maximize its usability and comfort of use.