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)
- active transport (2)
- ADME (4)
- albumin (1)
- antibiotics (1)
- antiviral (4)
- bioavailability (3)
- cancer (3)
- cardiotoxicity (1)
- collaboration (13)
- compound libraries (1)
- COPD (1)
- docking (12)
- drug design (4)
- 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)
- LD50 (2)
- logP (1)
- mechanism of action exploration (2)
- MRDD (3)
- new therapeutic uses (1)
- oncology (4)
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- PDK1 (1)
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- publications (10)
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- Quantum Software (10)
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- selectivity (3)
- solvation energy (18)
- ss DNA (1)
- talk (5)
- toxicity (7)
- trombine (2)
- tuberculosis (3)
- Uncategorized (4)
- 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?
Latest Headlines
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Quantum tests a novel targeted anti-tuberculosis compound
Posted on June 5, 2010 | View CommentsThe situation with drug resistant forms of tuberculosis (TB), aka MDR and XDR forms, remains increasingly troubling. XDR form was originally identified in 2006 and by now comprising up to 30-50% cases in some regions of South Africa and India. 30% HIV-positive patients with XDR... -
FFT acceleration demonstration for (surface)GB methods
Posted on May 31, 2010 | View CommentsSurface charges Generalized Born (SCGB) approach combines the bests of the two worlds: the simplicity of Generalized Born models with the sound physics behind exact continuous electrostatics. Does not only SCGB provide accurate solvation energies for realistic systems, the surface charges obtained in the course... -
Effects of the surface density on the stability of surface electrostatics models
Posted on May 20, 2010 | View CommentsWe’ve been extensively involved in developing new and testing already existing methods for continuous electrostatics problems solution. Large part of the effort is building and understanding of the so called Generalized Born models. It’s been known for quite a while that although various incarnations of... -
Surface GB models: the ultimate test
Posted on May 18, 2010 | View CommentsContinuous solvation models in general and Generalized Born models alike in particular provide a simplified though fast assessment of the solvation energies of biomolecules. Continuous water models help effectively eliminate vast number of degrees of freedom associated with the dynamics of water molecules and thus... -
Does size matter?
Posted on April 23, 2010 | View CommentsThe goal of drug discovery is to find potent and selective inhibitors for particular targets. A good ligand thus should be small (for better bio-availability) and potent. The larger is the inhibitor, the more there are ways to interact with specific features of a certain...