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
Contacts: office@q-pharm.com or comment any post on the site. You are welcome!Subscription Options:
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)
- openbabel (3)
- PDK1 (1)
- polar liquid (16)
- publications (10)
- q-Mol (1)
- QSAR (1)
- Quantum Software (10)
- RecA (1)
- scoring (1)
- 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?
Archive for November, 2009
-
O(N) SCGB solvation models: first “blood”
Posted on November 27, 2009 | View CommentsNot only our recently introduced surface charges generalized Born (SCGB) models prove to be reasonable in terms of providing solutions to Poisson Boltzmann equation in complicated geometries, such as biomolecules. By getting rid of the standard expression for the solvation energy we are able to... -
Protein solvation energies and GB surface charges: perfect match!
Posted on November 20, 2009 | View CommentsUp to now, there have been at least two schools of thoughts among those trying to calculate electrostatics part of solvation energies. Half of the folks believe that only an exact solution of the Poisson equation can be better than the solution of the Poisson... -
ISTC/NIH-NIAID meeting, Moscow, 17.11.09
Posted on November 17, 2009 | View CommentsAs part of recent efforts to expand cooperation in health, the U.S. National Institute of Allergy and Infectious Diseases (NIAID) is interested in learning more about the spectrum of biomedical research and expertise in the Russian Federation. In particular, efforts focusing on detection of drug... -
How to use Born surface charges to calculate solvation energy?
Posted on November 17, 2009 | View CommentsWe have recently established a relation between the Generalized Born methods and finite elements surface electrostatics. Indeed, if the Generalized Born solvation energy is interpreted as a (though approximate) definition of the reaction field potential, then the boundary condition defines the surface chages in terms... -
Experimental siRNA complex uptake without transfection reagents
Posted on November 12, 2009 | View CommentsNormally siRNA do not penetrate cell membranes without transfection reagents. In Quantum Pharmaceutical we developed a new nanoscale complex with ability to transport siRNA over cell membranes of a cancer cell. In experiments with fluorescent siRNA molecules coupled with our proprietory transport system we conformed...