VeraChem, LLC software

Fast protein-ligand docking and scoring software package with user friendly graphical interface

Vrms provides the symmetry-corrected root-mean-square deviation (RMSD) between a series of test conformations of a drug-like molecule and a reference conformation. Two modes of operation are available.

Superimpose related ligand series on reference structure Reference can be co-xtal PDB, sdf, mol, crd Handles arbitrary atom orderings. Provides excellent VM2/docking starting structures. VMap is an  application to superimpose related ligands (e.g. common scaffold atoms; different R-groups) on a reference molecule. The reference can be, for example, a co-crystalized ligand taken from a protein PDB file, in which case, VMap provides excellent starting structures for VM2 or docking calculations.

VCharge provides fast, easy access to accurate partial charges for virtually any drug-like compound. It is thus valuable in a wide range of modeling and QSAR applications. VCharge is available for Linux and Microsoft Windows. A convenient Windows viewer VDisplay is available for free download along with VCharge.  Easy access to fast, accurate partial atomic charges of drug-like molecules Valuable in a wide range of of modeling and QSAR applications.

VDraw is an intuitive 2D chemical drawing application. It has a wide range of templates, which simplifies the drawing of  complex molecules. VDraw also supports the loading of an SD file and editing a previously generated chemical structure. VDraw 2D structures can, with a single click, be sent to Vconf for 2D to 3D conversion and conformational searching.