Alistair O’Brien

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Structure-Based Drug Discovery of N -(( R )-3-(7-Methyl-1 H -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

Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency