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)
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- Generalized Born (15)
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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?
druglikeness Archive
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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... -
Do we need those nM-inhibitors?
Posted on November 11, 2009 | View CommentsIt’s “well known” that we all need to find the stronger inhibitors against any specific therapeutic target as possible. The motivation is that the strongest inhibitors are most probably less toxic. It’s so obvious and thus needs to be checked. To do so we took... -
How drug-like are vendor libraries?
Posted on October 26, 2009 | View CommentsWe use a few chemical compounds vendors in our drug discovery programs (let us call them “Provider I”, “Provider II”, and “Provider III”). Nowadays chemicals providers normally claim about 1M of drug-like compounds readily available for shipping at a very reasonable cost. A few dozen... -
Drug likeness: what do bioavailability and toxicity properties tell us about druglikeness?
Posted on January 9, 2008 | View CommentsDruglikeness is a qualitative concept used in drug design for an estimate on how “druglike” a prospective compound is. Usually it is estimated from the molecular structure, often even before the substance is synthesized and tested. A good drug should show good availability, low toxicity...