Products

VM2

Calculates accurate protein-ligand binding affinities
 using mining-minima free energy methods.

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VDraw

Intuitive 2D chemical drawing. Valence/stereochem aware. Integration with 2D to 3D conversion/conformer search.

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VConf

2D to 3D small molecule conversion and low-energy conformer generation enforcing stereochemistry.

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VMap

Superpose a series of  ligands on a reference structure. Provides excellent VM2 and VDock starting structures.

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VCharge

Fast and accurate partial charges for drug-like molecules using electronegativity equalization.

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VFilter

Analyzes ensembles of molecular conformers and removes repeats accounting for symmetry.

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VDisplay

Small molecule viewer. Reads ligands from SDFs. Seamless integration with VDraw, VConf, VMap, and VCharge.

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Vrms

Provides symmetry-corrected RMSDs between docked molecular conformers or free molecular conformers.

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