Francesca Deflorian

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 4

Top Topics

Capillary Electrophoresis

Molecular Dynamics Simulations

Top Venues

Angewandte Chemie (International ed. in English)

In silico pharmacology

Journal of medicinal chemistry

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Sarah Joanne Bucknell, Mark A Ator, Alastair J H Brown, Jason Brown, Andrew D Cansfield, Julie E Cansfield, John A Christopher, Miles Congreve, Gabriella Cseke, Francesca Deflorian, Christopher R Jones, Jonathan S Mason, M Alistair O'Brien, Gregory R Ott, Mark Pickworth, Stacey M Southall
Structure-Based Drug Discovery of N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. Journal of medicinal chemistry 63 (14) (2020)
Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen, Xerardo García-Mera, Miles Congreve, Francesca Deflorian, Chris de Graaf, Andrei Zhukov, Andrew S Doré, Jonathan S Mason, Johan Åqvist, Robert M Cooke, Eddy Sotelo, Hugo Gutiérrez-de-Terán
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists. Angewandte Chemie (International ed. in English) 59 (38) (2020)
Francesca Deflorian, Laura Perez Benito, Eelke B Lenselink, Miles Congreve, Herman W T van Vlijmen, Jonathan S Mason, Chris de Graaf, Gary John Tresadern
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Journal of chemical information and modeling 60 (11) (2020)
Giuseppe Deganutti, Andrei Zhukov, Francesca Deflorian, Stephanie Federico, Giampiero Spalluto, Robert M Cooke, Stefano Moro, Jonathan S Mason, Andrea Bortolato
Impact of protein-ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics. In silico pharmacology 5 (1) (2017)