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ON-LINE SERVICES PROMOTIONAL OFFER

The Quantum software was developed using a new paradigm in molecular modeling – applying quantum and molecular physics instead of statistical scoring-function-like and QSAR-like methods.

Quantum Pharmaceuticals provides the following services in the area of in-silico drug discovery and chemistry:

• IC50 of a protein-ligand complex
• Docking a small molecule
• Library screening
• Normal Mode Analysis: Protein movements and conformational changes modeling
• Mutagenesis
• QM-based Solubility (water, DMSO) prediction
• QM-based pKa (protonation states) predictions
Sample Report: pKr calculation for aminophenylalanine.

The on-line services are available for any 3D protein structure, e.g.

1E9M

Title: FERREDOXIN VI FROM RHODOBACTER CAPSULATUS

Compound: CHAIN: A;

Description: Ferredoxin vi from rhodobacter capsulatus

You can find this page using the following keywords:

• Minimum, binding, energy,
• Target specific criteria, select the compounds that are most drug-like, targeted selection of compounds, provide the lead series for synthesis and biological testing,
• Area between the complex involving both attractive and
• Contribution of each rotor is scaled solvent-accessible surface (sas) dependent singlet potentials for protein
• 2d or 3d structure of a ligand, coordinates of the docked ligands to
• Cofactors, water molecules, removed.hydrogen atoms atom types and bond types corrected charges.
• Coordinates, active site,site,
• normal mode analysis, bioinformatics, structural research and analysis, domain motions, binding site, protein-protein interactions,
• Targeted hit library, entities collection,
• Scheme bound conformation of a given ligand from