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Small Molecule Tools

VConf [su_list icon="icon: chevron-circle-right" icon_color="#59c7e0"]2D to 3D small molecule conversionProvides low energy conformers of drug-like moleculesDetects and enforces stereochemistry[/su_list] Learn More VCharge [su_list icon="icon: chevron-circle-right" icon_color="#59c7e0"]Easy access to fast, accurate partial atomic charges of drug-like…

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VM2

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

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VDock

Fast protein-ligand docking and scoring with user friendly graphical interface guided workflow.

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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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QM-VM2

Coming Soon! VM2 integrated with semi-empirical & ab initio quantum mechanical potentials.

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Recent News

Prof. Mike Gilson talks about VM2 for fast accurate protein-ligand binding free energies.
13-09-2022
A joint VeraChem, Iowa State University, and University of Colorado Denver study applying QM-VM2 to the calculation of host-guest binding...
12-03-2021
VeraChem’s small molecule tools now available on linux desktop
10-12-2019