Top Tweets for #EUUGM2016
Thanks to our speakers for their contribution #Novartis #BoehringerIngelheim #Takeda #GSK #UniHertfordshire #Lilly #Monsanto #EUUGM2016
Workshops on becoming a power user, 3D ligand-based #VirtualScreening in the Cloud, Analyzing protein active sites and more #EUUGM2016
Day 2 of our European User Group Meeting #EUUGM2016
Last presentation of the day: Design of a Focussed CNS Screening Collection at Takeda #EUUGM2016
Eli Lilly give the penultimate presentation - Uses of Field Similarity in Library Design and Sidechain Enrichment #EUUGM2016
Tioxazafen, a New Broad-spectrum Seed Treatment Nematicide #EUUGM2016 #MolecularModeling #AgrochemicalDiscovery #CompChem
See Cresset case studies https://t.co/a7QjSqUkX2 #EUUGM2016
… such as fragment growing, linking, macro-cyclization and water replacement #EUUGM2016
Spark fragment and reagent databases can be used in unconventional bioisostere replacement experiments … #EUUGM2016
Lead Finder performs well on #LigandDocking and on screening large ligand libraries, showing good early enrichment values #EUUGM2016
Cresset introduce docking with Lead Finder #EUUGM2016 #ProteinPreparation #DockingSoftware #CompChem
Thanks to Cresset a library design tool was designed to distribute pharmacophoric constraints evenly around linking vector #EUUGM2016
Cresset brings what we expect from Cresset – interesting insights into building blocks that were totally missed by other methods #EUUGM2016
2D vs 3D – does it make a difference? They compared APRooted vs Cresset. The exceptions in each case were interesting. #EUUGM2016 #novartis
An interesting application is to identify whether you have holes in your chemical space. Fin presented an example. #EUUGM2016 #novartis
Clustering using Cresset fields helps chemist to choose BBs to maximize pharmacophore coverage and BB attractiveness #EUUGM2016 #Novartis
The stages were: preparation, conformation, alignment, similarity matrix calculation, clustering, visualization, selection #EUUGM2016
#Novartis proposed the method to Cresset who implemented the process and developed a workflow for 'The Cauliflower' #EUUGM2016
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