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• Small Molecules: Hit identification

• Small Molecules: Hit-to-Lead optimization

• Small Molecules: physicochemical properties

• Small Molecules: ADME

• Small Molecules: Toxicity

• Small Molecules: Selectivity

• Antibodies: Humanization and Optimization

• Protein Modeling. Discovery

• Protein Modeling: HERG binding

• Protein Modeling: Albumin binding

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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.