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.
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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?
polar liquid Archive
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Talk: water as a segnetoelectric, anomalous properties of polar liquids and interactions at nm-scales
Posted on December 2, 2009 | View 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 Molecular Physics, Russian Research Center “Kurchatov Institute”. The talk in part mirrored the last... -
Three great ways to calculate Born radii beyond the Coulomb Field Approximation
Posted on November 9, 2009 | View CommentsThere is no need to explain how important are electrostatics interactions in Biology. Unfortunately electrostatics forces are long range and the interactions led by the interaction of molecular charges with each other and the charges of the water molecules are hard to calculate fast and... -
Water polarization charges in Generalized Born models.
Posted on November 6, 2009 | View CommentsSolvation energy is one of the major contribution to binding energy of a ligand to a biologically active protein and is the contribution mostly responsible for the protein selectivity. Although nothing can, probably, better approximate the interaction with water molecules than a sufficiently long molecular... -
The nature of phospholipid membranes repulsion at nm-distances
Posted on August 31, 2009 | View 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 the repulsion does show up in the model and the solution to the problem fits... -
Molecular polarization on a polar liquid interface: the structure of a water surface
Posted on April 6, 2009 | View 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 thus average dipole moment of any large enough fraction of the liquid vanishes. This observation...