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!Categories
- absorbtion (3)
- active transport (2)
- ADME (4)
- antibiotics (2)
- antiviral (6)
- bioavailability (3)
- cancer (5)
- cardiotoxicity (1)
- collaboration (14)
- compound libraries (1)
- COPD (1)
- docking (13)
- drug design (9)
- drug discovery platform (1)
- druglikeness (4)
- false positive (3)
- flue (4)
- Generalized Born (15)
- GPCR (1)
- HERG (6)
- HIV (4)
- HIV-1 integrase (1)
- HSV (1)
- human neutrophil elastase (1)
- IC50 (18)
- inflammation (3)
- influenza (3)
- kinase (1)
- LD50 (2)
- logP (1)
- matrix proteins (3)
- mechanism of action exploration (2)
- MRDD (3)
- new therapeutic uses (1)
- oncology (4)
- openbabel (3)
- PDK1 (1)
- polar liquid (17)
- publications (12)
- q-Mol (1)
- QSAR (1)
- Quantum Software (11)
- RecA (1)
- scoring (1)
- selectivity (3)
- solvation energy (19)
- ss DNA (1)
- talk (5)
- toxicity (7)
- trombine (2)
- tuberculosis (4)
- Uncategorized (6)
- video (3)
- water (20)
Recent comments
- anith on Free energy perturbation theory for accurate IC50 calculations
- Vladimir Chupakhin on Solubility in water/DMSO prediction
- Nbarnes25 on Services
- New MA/p17 matrix protein inhibitors display broad antiviral activity against multiple subtypes of HIV-1 on Influenza matrix M1 protein inhibitors show promising in-vivo efficacy
- Anonymous on Water polarization and density profiles at a gas-liquid interface
Generalized Born Archive
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FFT acceleration demonstration for (surface)GB methods
Posted on May 31, 2010 | No 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... -
Effects of the surface density on the stability of surface electrostatics models
Posted on May 20, 2010 | 1 CommentWe’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... -
Surface GB models: the ultimate test
Posted on May 18, 2010 | 1 CommentContinuous 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... -
Non-polar contribution to solvation energy from Born models:
Posted on February 2, 2010 | No CommentsSolvation energy contribution to protein-ligand binding conceptually consists of two different contributions. The first one is collective in nature, comes from the long range interaction of the molecules charges with... -
O(N) Surface Charges Generalized Born calculation demonstration
Posted on December 23, 2009 | 3 CommentsSurface Charges Generalized Born (SCGB) family of the polar solvation energy caclulation methods is a recently developed approach aimed at getting fast numerical solutions of the Poisson Boltzmann equation in...