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.
Quantum@linkedin.com
Contacts: office@q-pharm.com or comment any post on the site. You are welcome!Categories
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Recent comments
- anith on Free energy perturbation theory for accurate IC50 calculations
- Vladimir Chupakhin on Solubility in water/DMSO prediction
- Nbarnes25 on 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
water Archive
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Experimental evidence of the ferroelectric phase transition near the $λ-$point in liquid water
Posted on August 25, 2011 | No CommentsThe manuscript entitled “Experimental evidence of the ferroelectric phase transition near the $λ-$point in liquid water” has just been accepted to JETP Letters (Russian Journal of Experimental and Theoretical Physics... -
Effects of the surface density on the stability of surface electrostatics models
Posted on May 20, 2010 | 1 CommentWe’ve been extensively involved in developing new and testing already existing methods for continuous electrostatics problems solution. Large part of the effort is building and understanding of the so called... -
Surface GB models: the ultimate test
Posted on May 18, 2010 | 1 CommentContinuous solvation models in general and Generalized Born models alike in particular provide a simplified though fast assessment of the solvation energies of biomolecules. Continuous water models help effectively eliminate... -
Water molecules alignments on a hydrophobic surface – I
Posted on April 11, 2010 | 1 CommentWater molecules interact strongly “using” both the long range dipole-dipole and short-range “hydrogen bonds” to form sophisticated networks. As described in our previous post, water molecules align along a hydrophobic... -
Water polarization and density profiles at a gas-liquid interface
Posted on March 25, 2010 | 4 CommentsThe true picture of the water molecules ordering next to a hydrophobic surface or a liquid-gas interface is in fact more complicated than a model. Next to the interface both the water polarization and the density should vanish. To account for the density changes we incorporated the density variations into the free energy functional. The resulting model even though only in the mean field approximation reveals spontaneous liquid polarization at the liquid boundary. The spontaneous polarization of the liquid is the consequence of the dipole-dipole interactions and effectively makes the liquid interface behave as a ferro-electric film.