life sciences founded 1984 founder prof. peter goodford headquarters london website www.moldiscovery.com molecular discovery ltd is a software company working in the area of drug discovery . founded in 1984 by peter goodford its aim was to provide the grid 1 software to scientists working in the field of drug design and enabled one of the first examples of rational drug design 2 with the discovery of zanamivir in 1989 . in combination with statistical methods such as golpe grid molecular interaction fields can also be used to perform 3d qsar . in the last decade the grid forcefield has been applied to other areas of drug discovery including virtual screening scaffold hopping adme and pharmacokinetic modelling optimisation of metabolic stability and metabolite prediction as well as pka and tautomer modelling . molecular discovery manages a cytochrome p450 consortium aimed at generating a large set of homogeneous experimental data for human metabolism allowing the development of predictive in silico models . 3 products edit grid a program for rational or structure based design using molecular interaction fields metasite a program for predicting metabolic hotspots or soft spots and subsequent metabolite formation mass metasite a program for identifying metaoblites based on experimental lc msms data webmetabase a program for storing visualising and data mining the results from mass metasite volsurf a program for modelling pharmacokinetic or adme properties shop a program for scaffold replacement moka a program for modelling pka and tautomerisation pentacle a program for 3d qsar an update of almond flap a program for virtual screening pharmacophore modelling docking water prediction and 3d qsar references edit goodford p.j. 1985 a computational procedure for determining energetically favorable binding sites on biologically important macromolecules . j. med . chem . 28 849 857 von itzstein m. et al. 1993 rational design of potent sialidase based inhibitors of influenza virus replication . nature 363 418 423 cytochrome p450 consortium external links edit molecular discovery ltd official homepage retrieved from https en.wikipedia.org w index.php title molecular discovery & oldid 672289407 categories health information technology companiesmolecular modelling software navigation menu personal tools not logged intalkcontributionscreate accountlog in namespaces article talk variants views read edit view history more search navigation main pagecontentsfeatured contentcurrent eventsrandom articledonate to wikipediawikipedia store interaction helpabout wikipediacommunity portalrecent changescontact page tools what links hererelated changesupload filespecial pagespermanent linkpage informationwikidata itemcite this page print export create a bookdownload as pdfprintable version languages add links this page was last modified on 20 july 2015 at 15 58 . text is available under the creative commons attribution sharealike license ; additional terms may apply . by using this site you agree to the terms of use and privacy policy . wikipedia is a registered trademark of the wikimedia foundation inc. a non profit organization . privacy policy about wikipedia disclaimers contact wikipedia developers cookie statement mobile view