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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![Solvation energy contribution to protein-ligand binding conceptually consists of two different contributions. The first one is collective in nature, comes from the long range interaction of the molecules charges with [...]](http://q-pharm.com/wp-content/themes/arras-theme/images/thumbnail.png "Non-polar contribution to solvation energy from Born models:")
Non-polar contribution to solvation energy from Born models:
Posted on February 2, 2010 | No CommentsSolvation energy contribution to protein-ligand binding conceptually consists of two different contributions. The first one is collective in nature, comes from the long range interaction of the molecules charges with [...] -
Ferro-electric phase transition in a polar liquid and the nature of \lambda-transition in supercooled water
Posted on December 20, 2009 | 1 CommentP.O. Fedichev, L.I. Menshikov (Submitted on 7 Aug 2008 (v1), last revised 20 Dec 2009 (this version, v3)) We develop a series of approximations to calculate free energy of a polar liquid. [...] -
Phospholipid membranes repulsion at nm-distances explained within a continuous water model
Posted on December 14, 2009 | No CommentsP. O. Fedichev, L.I. Menshikov (Submitted on 5 Aug 2009 (v1), last revised 14 Dec 2009 (this version, v2)) We apply recently developed phenomenological theory of polar liquids to calculate the repulsive [...] -
Talk: water as a segnetoelectric, anomalous properties of polar liquids and interactions at nm-scales
Posted on December 2, 2009 | No CommentsThe talk “Water as a segnetoelectric, anomalous properties and interactions of molecular sized objects at nm-distances” (in Russian). The talk was a part of IAChPhys seminar held at the Institute of [...] -
Protein solvation energies and GB surface charges: perfect match!
Posted on November 20, 2009 | 2 CommentsUp to now, there have been at least two schools of thoughts among those trying to calculate electrostatics part of solvation energies. Half of the folks believe that only [...]