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?
Archive for December, 2009
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O(N) Surface Charges Generalized Born calculation demonstration
Posted on December 23, 2009 | View CommentsSurface Charges Generalized Born (SCGB) family of the polar solvation energy caclulation methods is a recently developed approach aimed at getting fast numerical solutions of the Poisson Boltzmann equation in linear time (and memory). SCGB combines the bests of the two worlds: the simplicity of... -
Ferro-electric phase transition in a polar liquid and the nature of \lambda-transition in supercooled water
Posted on December 20, 2009 | View CommentsP.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. We show that long range nature of dipole interactions between the molecules leads... -
Phospholipid membranes repulsion at nm-distances explained within a continuous water model
Posted on December 14, 2009 | View 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 pressure between two hydrophilic membranes at nm-distances. We find that the repulsion does... -
O(N) continuous electrostatics solvation energies calculation method for biomolecules simulations
Posted on December 9, 2009 | View 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 calculations of solvation energy of biomolecules with a large number of charged groups.... -
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...