Actualités

A new version of Molegro Virtual Docker (MVD v5.0) has been released.

 

Major new features in version 5.0:

* GPU-accelerated docking on CUDA supported hardware making it possible to screen drug-like compounds up to 30 times faster than using conventional CPU-based methods. The GPU implementation builds upon and extends the research described in the paper "GPU-Accelerated High-Accuracy Molecular Docking using Guided Differential Evolution" (http://dl.acm.org/citation.cfm?id=2001576.2001818).

* The new 2D Ligand Map provides an easy way to inspect and visualize protein-ligand interactions.