Quantum Pharmaceuticals
Quantum Pharmaceuticals is a technology based drug discovery company. We develop a unique computational drug discovery platform (QUANTUM), provide drug discovery services, and pursue our own in-house drug discovery projects searching for novel compounds with anti-bacterial, anti-viral and anti-cancer efficacy.
Quantum@linkedin.com
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Categories
- absorbtion (3)
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- drug discovery platform (1)
- druglikeness (4)
- false postive (3)
- flue (1)
- Generalized Born (15)
- GPCR (1)
- HERG (6)
- HIV (2)
- HIV-1 integrase (1)
- HSV (1)
- human neutrophil elastase (1)
- IC50 (18)
- inflammation (3)
- kinase (1)
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- mechanism of action exploration (2)
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- video (3)
- water (19)
Recent comments
- Talk@MIPT (in Russian) on Video recorded from "Water as a ferroelectric…" presentation at MIPT, November 5th, 2008
- FFT acceleration demonstration for (surface)GB methods on Water polarization charges in Generalized Born models.
- FFT acceleration demonstration for (surface)GB methods on O(N) Surface Charges Generalized Born calculation demonstration
- FFT acceleration demonstration for (surface)GB methods on O(N) SCGB solvation models: first “blood”
- FFT acceleration demonstration for (surface)GB methods on How to use Born surface charges to calculate solvation energy?
Uncategorized Archive
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2008 Quantum’s technology platform update and software releases
Posted on November 25, 2008 | View CommentsIt has been an exciting year here in Quantum Pharmaceuticals, another great year for our highly effective small molecule drug discovery and ADMET platform development. Our work is firmly based in basic science: QUANTUM science team developed a vector field theory of water capable of... -
Quantum Science Overview, v 0.1 has been released
Posted on September 19, 2007 | View CommentsQuantum Pharmaceuticals is pleased to release Quantum Science Overview. The document conveys an overview Quantum’s drug discovery solutions and scientific results. The content of the report are summarized below:I. A Novel Integrated Approach in Drug Discovery 1II. QUANTUM free energy vs. statistical scoring functionsIII. Inside... -
Molecular dynamics of HIV Integrase with an inhibitor
Posted on January 9, 2007 | View CommentsBelow we provide an example of Molecular Dynamics of HIV-integrase monomer with 1- (5- CHLOROINDOL-3- YL)-3 -HYDROXY-3 -(2H- TETRAZOL- 5- YL)-PROPENONE (pdb code 1qs4). The protein structure is taken from the original 1qs4 pdb data and combined with the missing loop data from 2itg structure.... -
Protein flexibilty and ligand interaction complementarity example
Posted on December 10, 2006 | View CommentsHuman neutrophil elastase complexed with an inhibitor (gw475151) studied with QUANTUM normal modes analysis tools. The video shows the inhibitor (red licorice) remains in a strongly interacting position regardless of the protein most probable motion: Most of available docking software performs free energy scoring for...