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
docking Archive
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Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
Posted on August 9, 2011 | No CommentsThe manuscript entitled “” by the Quantum Team has been accepted to PLoS Currents Influenza. The reference: Fedichev, Peter; Timakhov, Roman; Pyrkov, Tim; Getmantsev, Evgeny; Vinnik, Andrey. Structure-based drug design... -
Application of a novel in silico high throughput screen to identify selective inhibitors for protein–protein interactions
Posted on August 5, 2010 | No CommentsIncreasing numbers of target protein structures available for computational studies makes the structure-based screening paradigm more attractive for initial hit indentification. We have developed a novel in silico screening methodology... -
Making a good water model: Molecules do conformationally change when cross from a gas to water solution
Posted on October 8, 2008 | No CommentsSolvation energy calculation is absolutely crucial for a successful binding free energy (IC50) determination. Quantum Pharmaceuticals develops aqueous solvation models and tests them against available experimental data to validate the... -
Docking validation study: PDK1-kinase (oncology)
Posted on June 7, 2008 | No CommentsFollowing the classic thrombine study, we catch up with a more important target: PDK1 kinase. Pyruvate dehydrogenase kinase, isozyme 1, also known as PDK1, is a human gene.It codes for... -
Docking validation study: classic example, thrombine
Posted on June 5, 2008 | No CommentsThe Figure on the left represents a docking study of more than 200 molecules with known activity on thrombin. The protein is a well known target …. We have extracted...