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?
Quantum Software Archive
-
Quantum LogP module (part of q-Mol package) has been benchmarked by vcclab.org
Posted on August 20, 2008 | View CommentsQuantum LogP module (part of q-Mol package) has been reviewed by R. Mannhold et al. (vcclab.org) in “Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of Log P Methods on More Than 96,000 Compounds”. From the manuscript: “Quantum LogP, developed by Quantum Pharmaceuticals, uses another quantum-chemical... -
Computer aided drug design video from Quantum Pharma
Posted on May 21, 2008 | View CommentsMolecular modelling software of Quantum Pharmaceuticals is used to dock small molecule to active site of target protein. The molecular docking on flexible protein is explored. The Quantum docking software is available for free use at LeadFinding.com, the online hit-to-lead optimization service to filter and... -
q-hERG: QUANTUM’s innovative approach to hERG binding calculations is finally released
Posted on January 18, 2008 | View CommentsQUANTUM hERG (q-hERG) screening assays is a unique and innovative computational approach, which allows you to predict from a molecule structures of compounds their inhibition constants (IC50) for hERG channels. q-hEARG features: Output is pIC50 values (-logIC50) for the molecules. The accuracy of prediction is... -
EMD Serono, Inc licensed Quantum Pharmaceuticals’ drug discovery technology.
Posted on December 10, 2007 | View CommentsMoscow, 10 December, 2007 EMD Serono, Inc entered license agreement with Quantum Pharmaceuticals to get an access to Quantum Pharmaceuticals’ small molecule hit identification computational platform and apply it in in-house research. The Quantum Pharmaceuticals’ industry leading computational drug design technologies is based on applying... -
QUANTUM and albumin binding calculations: the role of protein flexibility
Posted on September 3, 2007 | View CommentsDrug distribution within the body is determined mainly by free (unbound) concentration of drug in circulating plasma. The unbound fraction, in turn, depends on drug absorption by plasma proteins. Human Serum Albumin (HSA) is the most abundant blood plasma protein and is produced in the...