Quantum Discovery
Quantum Discovery Labs 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.
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Contacts: office@q-pharm.com or comment any post on the site. You are welcome!
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Latest Headlines
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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... -
Does size matter?
Posted on April 23, 2010 | 1 CommentThe 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... -
Water molecules alignments on a hydrophobic surface – I
Posted on April 11, 2010 | 1 CommentWater molecules interact strongly “using” both the long range dipole-dipole and short-range “hydrogen bonds” to form sophisticated networks. As described in our previous post, water molecules align along a hydrophobic...