S. St-Gallay

发表

2-aminopyridines as highly selective inducible nitric oxide synthase inhibitors. Differential binding modes dependent on nitrogen substitution.

J. Tainer, R. Rosenfeld, A. Arvai, 2004, Journal of medicinal chemistry.

Impact of ion class and time on oral drug molecular properties

Paul D. Leeson, Mark C. Wenlock, P. Leeson, 2011 .

The influence of the 'organizational factor' on compound quality in drug discovery

Paul D. Leeson, P. Leeson, S. St-Gallay, 2011, Nature Reviews Drug Discovery.

Design driven HtL: The discovery and synthesis of new high efficacy β₂-agonists.

G. Pairaudeau, A. Bailey, E. Cadogan, 2011, Bioorganic & medicinal chemistry letters.

Hit-to-lead studies: the discovery of potent, orally active, thiophenecarboxamide IKK-2 inhibitors.

Stuart Paine, John Unitt, J. Unitt, 2004, Bioorganic & medicinal chemistry letters.

Structure-driven HtL: design and synthesis of novel aminoindazole inhibitors of c-Jun N-terminal kinase activity.

S. Teague, Yafeng Xue, S. St-Gallay, 2005, Bioorganic & medicinal chemistry letters.

An efficient one-pot synthesis of 2-bromo-6-aryl[5H]pyrrolo[2,3-b]pyrazines

Rafal P. Wiewiora, D. Whittaker, S. St-Gallay, 2015 .

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A† †Electronic supplementary information (ESI) available: xyz coordinates for theoceptor complexes, and additional information as noted in the text. See DOI: 10.10

Andrew G. Leach, J. Madden, A. Leach, 2019, Chemical science.

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs

S. Enoch, J. Madden, A. Leach, 2017, J. Chem. Inf. Model..

A High-Throughput Screening Triage Workflow to Authenticate a Novel Series of PFKFB3 Inhibitors

J. Debreczeni, G. Walker, A. Turnbull, 2018, SLAS discovery : advancing life sciences R & D.

Optimization of monocarboxylate transporter 1 blockers through analysis and modulation of atropisomer interconversion properties.

T. Potter, R. Lewis, S. St-Gallay, 2007, Journal of medicinal chemistry.

Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3.

J. Debreczeni, A. Turnbull, S. Degorce, 2015, Journal of medicinal chemistry.

Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase

J. Tainer, E. Getzoff, R. Rosenfeld, 2008, Nature chemical biology.

Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.

J. Debreczeni, Lyman J. L. Feron, Michael Tonge, 2017, Journal of medicinal chemistry.

Limitations and lessons in the use of X-ray structural information in drug design

Gerard J Kleywegt, Andrew M Davis, Stephen A St-Gallay, 2008, Drug Discovery Today.

Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6

Stewart B Kirton, Carol A Kemp, Michael J Sutcliffe, 2002, Proteins.

WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry

Daniel J. Warner, Edward J. Griffen, Stephen A. St-Gallay, 2010, J. Cheminformatics.

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).

Glen Andrews, Paul D Leeson, Anders Åberg, 2011, Bioorganic & medicinal chemistry letters.

Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules.

Niklas Blomberg, Britt-Marie Swahn, Paul D Leeson, 2011, Bioorganic & medicinal chemistry letters.

A High-Throughput Screening Triage Workflow to Authenticate a Novel Series of PFKFB3 Inhibitors

J. Debreczeni, G. Walker, A. Turnbull, 2018, SLAS discovery : advancing life sciences R & D.

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

Andrew G. Leach, J. Madden, S. St-Gallay, 2019, Chemical science.