Science Resources: Case study

Find a chemical starting point
Many customers engage Cresset Discovery to find a chemical starting point for their project. The input could be a competitor compound, a peptide,...
3D-QSAR study on JAK inhibitors
日本語で読む Nathan Kidley† † Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract Robust and predictive...
Pick new ligand-protein interactions from the active site with Spark™
日本語で読む In this case study we will use the new Spark docking feature of the Cresset bioisostere replacement and scaffold hopping tool to prioritize...
Streamlining design for covalent inhibitors
Nathan Kidley† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract Medicinal chemistry has...
Investigating the SAR of RIPK1 inhibitors
Chinese Sylvie Sciammetta† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract Understanding...
Finding new leads from peptides and natural ligands
Chinese Stuart Firth-Clark† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK The key to designing...
Discovering a Novel Therapy for Urinary Tract Infections Through Outsourcing In-silico Drug Discovery
Research from the University of Cambridge highlights the inhibition of an E. coli enzyme as a plausible route to reduce pathogenicity and increase...
Addressing metabolic liabilities by bioisosteric replacements with Spark™
Anand Balupuri†, Giovanna Tedesco† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract MetabolicÂ...
Identifying promising inhibitors against epilepsy using virtual screening
Andy Smith†, Selma Sapmaz† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Selene Therapeutics is...
Using molecular dynamics to produce an ensemble of protein conformations for more biologically-relevant docking experiments
Ryuichiro Hara†, Stuart Firth-Clark†, Nathan Kidley† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8...
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