Quantum Discovery Labs » docking http://q-pharm.com The drug discovery company Fri, 03 Feb 2012 10:47:43 +0000 en hourly 1 http://wordpress.org/?v=3.2.1 Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo http://q-pharm.com/2011/08/structure-based-drug-design-of-a-new-chemical-class-of-small-molecules-active-against-influenza-a-nucleoprotein-in-vitro-and-in-vivo/ http://q-pharm.com/2011/08/structure-based-drug-design-of-a-new-chemical-class-of-small-molecules-active-against-influenza-a-nucleoprotein-in-vitro-and-in-vivo/#comments Tue, 09 Aug 2011 06:18:11 +0000 Peter Fedichev, Quantum CTO http://q-pharm.com/?p=419
  • Influenza matrix M1 protein inhibitors show promising in-vivo efficacy
  • Quantum Discovery Services
  • Beefing up the pipeline: new leads against influenza virus identified
  • From binding data to pharmacokinetics: a novel approach to active drug absorbtion prediction
  • Drug design, drug development, bioinformatics and preclinical services
    • Related posts brought to you by Yet Another Related Posts Plugin.]]>     http://q-pharm.com/2011/08/structure-based-drug-design-of-a-new-chemical-class-of-small-molecules-active-against-influenza-a-nucleoprotein-in-vitro-and-in-vivo/feed/ 0     Application of a novel in silico high throughput screen to identify selective inhibitors for protein–protein interactions http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/ http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/#comments Thu, 05 Aug 2010 15:05:38 +0000 Peter Fedichev, Quantum CTO http://q-pharm.com/?p=334
  • Quantum announce collaboration with University of Colorado at Boulder
  • High Throughput Screening of Transcription factor DLX5
  • Virtual High Throughput Screening
  • Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo
  • Drug Discovery: identifying potential therapeutics that inhibit opioids-induced glial cell activation
    • Related posts brought to you by Yet Another Related Posts Plugin.]]>     http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/feed/ 0     Making a good water model: Molecules do conformationally change when cross from a gas to water solution http://q-pharm.com/2008/10/making-a-good-water-model-molecules-do-conformationally-change-when-cross-from-a-gas-to-water-solution/ http://q-pharm.com/2008/10/making-a-good-water-model-molecules-do-conformationally-change-when-cross-from-a-gas-to-water-solution/#comments Wed, 08 Oct 2008 08:25:00 +0000 fedichev http://q-pharm.com/?p=40
  • New Quantum Water Model helps find stable ss DNA conformation in solution
  • HERG binding prediction quality: q-HERG model vs. experiments
  • Water molecules alignments on a hydrophobic surface – I
  • How much water is in a Generalized Born protein?
  • Phospholipid membranes repulsion at nm-distances explained within a continuous water model
    • Related posts brought to you by Yet Another Related Posts Plugin.]]>     http://q-pharm.com/2008/10/making-a-good-water-model-molecules-do-conformationally-change-when-cross-from-a-gas-to-water-solution/feed/ 0     Docking validation study: PDK1-kinase (oncology) http://q-pharm.com/2008/06/docking-validation-study-pdk1-kinase-oncology/ http://q-pharm.com/2008/06/docking-validation-study-pdk1-kinase-oncology/#comments Sat, 07 Jun 2008 05:02:00 +0000 fedichev http://q-pharm.com/?p=31
  • Docking validation study: classic example, thrombine
  • Docking selectivity: Additive vs. non-additive force field
  • Protein Flexibility and False Positives detection.
  • In-vitro study of DLX5 Ligands
  • QUANTUM free energy vs. statistical scoring functions
    • Related posts brought to you by Yet Another Related Posts Plugin.]]>     http://q-pharm.com/2008/06/docking-validation-study-pdk1-kinase-oncology/feed/ 0     Docking validation study: classic example, thrombine http://q-pharm.com/2008/06/docking-validation-study-classic-example-thrombine/ http://q-pharm.com/2008/06/docking-validation-study-classic-example-thrombine/#comments Thu, 05 Jun 2008 10:58:00 +0000 fedichev http://q-pharm.com/?p=30
  • Docking validation study: PDK1-kinase (oncology)
  • Protein Flexibility and False Positives detection.
  • Docking selectivity: Additive vs. non-additive force field
  • Protein flexibilty and ligand interaction complementarity example
  • New MA/p17 matrix protein inhibitors display broad antiviral activity against multiple subtypes of HIV-1
    • Related posts brought to you by Yet Another Related Posts Plugin.]]>     http://q-pharm.com/2008/06/docking-validation-study-classic-example-thrombine/feed/ 0