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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publications Archive
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![P.O. Fedichev, E.G. Getmantsev, L.I. Men’shikov
(Submitted on 12 Aug 2009 (v1), last revised 9 Dec 2009 (this version, v2))
We report a development of a new fast surface-based method for numerical [...]](http://q-pharm.com/wp-content/themes/arras-theme/images/thumbnail.png "O(N) continuous electrostatics solvation energies calculation method for biomolecules simulations")
O(N) continuous electrostatics solvation energies calculation method for biomolecules simulations
Posted on December 9, 2009 | No CommentsP.O. Fedichev, E.G. Getmantsev, L.I. Men’shikov (Submitted on 12 Aug 2009 (v1), last revised 9 Dec 2009 (this version, v2)) We report a development of a new fast surface-based method for numerical [...] -
The nature of phospholipid membranes repulsion at nm-distances
Posted on August 31, 2009 | No CommentsWhy hydrophilic membranes repel at small distances? We apply recently developed phenomenological theory of polar liquids to calculate the repulsive pressure between two hydrophilic membranes at nm-distances. We find that [...] -
From binding data to pharmacokinetics: a novel approach to active drug absorbtion prediction
Posted on September 25, 2008 | No CommentsOral administered drugs are mainly absorbed in the small intestine. Here, depending on drug composition and size, absorption can happen through a variety of processes . Through the epithelial cells [...] -
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 [...] -
Spontaneous polarization of a polar liquid next to nano-scale impurities
Posted on September 25, 2008 | No CommentsNumerous properties of water are determined by the hydrogen bonds between its molecules. Water does not form hydrogen bonds with hydrophobic materials, henceforth, dipole moments of its molecules [...]