Quantum Discovery Labs » video http://q-pharm.com The drug discovery company Fri, 02 Mar 2012 06:38:21 +0000 en hourly 1 http://wordpress.org/?v=3.3.1 Free energy perturbation theory for accurate IC50 calculations http://q-pharm.com/2009/06/free-energy-perturbation-theory-for-accurate-ic50-calculations/ http://q-pharm.com/2009/06/free-energy-perturbation-theory-for-accurate-ic50-calculations/#comments Sat, 27 Jun 2009 08:28:08 +0000 Peter Fedichev, Quantum CTO http://q-pharm.com/?p=78
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  • Self-consistent solvation energy contribution calculation for protein-ligand complexes
  • Solvation energy of a large atom cluster: continuous solvation energy test – II
  • Solvation energy of a diatomic molecule: continuous solvation energy test – I
    • ]]>     http://q-pharm.com/2009/06/free-energy-perturbation-theory-for-accurate-ic50-calculations/feed/ 0     New Quantum Water Model helps find stable ss DNA conformation in solution http://q-pharm.com/2009/03/new-quantum-water-model-helps-find-stable-ss-dna-conformation-in-solution/ http://q-pharm.com/2009/03/new-quantum-water-model-helps-find-stable-ss-dna-conformation-in-solution/#comments Wed, 11 Mar 2009 09:24:00 +0000 fedichev http://q-pharm.com/?p=52
  • Making a good water model: Molecules do conformationally change when cross from a gas to water solution
  • Phospholipid membranes repulsion at nm-distances explained within a continuous water model
    • ]]>     http://q-pharm.com/2009/03/new-quantum-water-model-helps-find-stable-ss-dna-conformation-in-solution/feed/ 0     Computer aided drug design video from Quantum Pharma http://q-pharm.com/2008/05/computer-aided-drug-design-video-from-quantum-pharma/ http://q-pharm.com/2008/05/computer-aided-drug-design-video-from-quantum-pharma/#comments Wed, 21 May 2008 11:37:00 +0000 fedichev http://q-pharm.com/?p=27
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  • QUANTUM and HSA binding calculations: the role of protein flexibility
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  • Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
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