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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Recent comments
- Vladimir Chupakhin on Solubility in water/DMSO prediction
- Nbarnes25 on Quantum Discovery 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
- Anonymous on New inhibitors of RecA (bacterial SOS response system) identified.
polar liquid Archive
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Molecular polarization on a polar liquid interface: the structure of a water surface
Posted on April 6, 2009 | 2 CommentsThe orientations of water molecules within the liquid depend on interplay of long-range dipole-dipole interaction and short range hydrogen-bonding interactions. At room temperature water is in paraelectric (disordered) phase and... -
Solvation energy of a large atom cluster: continuous solvation energy test – II
Posted on January 24, 2009 | No CommentsAs it has been already stated here, binding energy calculation of a small molecule to a large protein poses a difficult problem: a method for molecular electrostatic energy calculation should... -
Solvation energy of a diatomic molecule: continuous solvation energy test – I
Posted on January 23, 2009 | No CommentsDiatomic molecule is the simplest example of a realistic solvation energy calculation. Indeed, any reasonable solvation energy model gives exact value for a single atom. Depending on the radii of... -
Video recorded from "Water as a ferroelectric…" presentation at MIPT, November 5th, 2008
Posted on December 16, 2008 | 2 CommentsWater as a ferroelectric: anomalous properties, long range order and interactions of nano-particles in solution (in Russian) -
The nature of percolation phase transition in films of hydration water around immersed bodies.
Posted on September 25, 2008 | 1 CommentIn a set of molecular dynamics calculations (MD) the percolation phase transition in water layer absorbed on a body surface was revealed at definite temperature. Below this temperature the infinite...