Top Tweets for #ScaffoldHopping
✨New Spark™ databases!
Newly updated databases from ChEMBL and SureChEMBL are now available for #ScaffoldHopping within Spark.
https://t.co/8xNi1KQvil
#pharma #biotech #medchem #compchem #computationalchemistry #CADD #digitalchemistry
Very proud to share our deep dive Perspective on #scaffoldhopping in CNS #drugdiscovery. Massive congrats to lead authors Tim and @TazGaz98 from @KassiouGroup for their immense hard work throughout multiple lockdowns to get this over the line. https://t.co/pOw39Ll9gO
And we developed a graph-based algorithm automatically finding distance restraints for linked dual topology #FreeEnergyCalculations, that can also deal with #scaffoldhopping Transformations and #multistate Systems!
See how Spark™ can generate highly innovative ideas for your project to explore chemical space and escape IP and toxicity traps, and request an evaluation
https://t.co/yH0i6eMFN4
#DrugDiscovery #ScaffoldHopping #MoleculeDesign

Learn how to carry out a scaffold hopping experiment in Spark™, the leading solution for scaffold hopping and R-group replacement
https://t.co/EjxfICKaGH
#DrugDiscovery #ScaffoldHopping #MoleculeDesign
Rapid approach to new scaffold generation
November 12th, 11am - 1pm
Register free https://t.co/pG0Acfvq9u
#ProtectIP #IntellectualProperty #ScaffoldHopping #NovelIdeas #Bioisosteres #MedChem #CompChem #SoftwareWorkshop

See how to update databases for Spark, your #scaffoldhopping and R-group exploration solution, some of which are released on a monthly basis.
https://t.co/fgxJrit6Ch
#CompChem #DrugDiscovery #MedChem

F. Grisoni, G. Schneider, et al. @ETH_DCHAB made a #machinelearning workflow to identify several compounds with multitarget profiles on #Alzheimers-disease-related targets #compchem #virtualscreening #scaffoldhopping https://t.co/UwtGe7FWJJ

Review of Novartis paper demonstrating how a traditional #scaffoldhopping experiment, using Spark, led to the identification of novel oxazolidinone and isoxazoline LpxC inhibitors active on Gram negative bacteria
https://t.co/LMLXA7w95T
#CompChem #DrugDisccovery

S. De Jonghe et al. @LeuvenU report a #scaffoldhopping strategy to identify cyclin G associated #kinase inhibitors #heterocycles #drugdiscovery https://t.co/wLM5E3Kzj6

B. Wuensch et al. @WWU_Muenster @ETH replaced the 4-benzylpiperidine scaffold of potent GluN2B antagonists with fluorinated structural elements #drugdiscovery #NMDAreceptor #scaffoldhopping https://t.co/frjVk1n9k8

January 2018 newsletter
Release of Spark V10.5 for scaffold hopping and bioisostere replacement, video tips and tricks for Spark, Flare and #ActivityMiner, citations, editorial and registration open for The Cresset User Group Meeting.
#CompChem #cugm18 #ScaffoldHopping
Spark V10.5 release offers improved usability and flexibility, and new science
https://t.co/rTQIQAkDIE
#ScaffoldHopping #BioisostereReplacement #CompChem

Chemical Reaction as published in @IPTmag https://t.co/HH3fTGh4U6 #ScaffoldHopping #CompChem #SyntheticChemistry #CaseStudies





Second HIV-1 entry inhibitor submitted by my collaborator @ Drexel. More writing to do, then a new pet project. #science #scaffoldhopping
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