S. Firth-Clark

发表

SkelGen: a general tool for structure-based de novo ligand design

N. P. Todorov, P. Dean, S. B. Kirton, 2006, Expert opinion on drug discovery.

The Discovery of Potent, Selective, and Reversible Inhibitors of the House Dust Mite Peptidase Allergen Der p 1: An Innovative Approach to the Treatment of Allergic Asthma

C. Robinson, D. Garrod, J. Richardson, 2014, Journal of medicinal chemistry.

Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

J. Michel, P. Tosco, M. Mackey, 2020 .

Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

J. Michel, P. Tosco, M. Mackey, 2020 .

Targeting an Initiator Allergen Provides Durable and Expansive Protection against House Dust Mite Allergy

C. Robinson, D. Garrod, J. Richardson, 2022, ACS pharmacology & translational science.

Assessment of Binding Affinity via Alchemical Free-Energy Calculations

Maximilian Kuhn, Paolo Tosco, Julien Michel, 2020, J. Chem. Inf. Model..

New inhibitor targeting human transcription factor HSF1: effects on the heat shock response and tumor cell survival

N. Vilaboa, R. Voellmy, S. B. Kirton, 2017, Nucleic acids research.

Clostridium difficile has a single sortase, SrtB, that can be inhibited by small-molecule inhibitors

B. Wren, E. Valiente, S. Firth-Clark, 2014, BMC Microbiology.

Design and discovery of 3-aryl-5-substituted-isoquinolin-1-ones as potent tankyrase inhibitors

A. Ashworth, L. Pearl, C. Springer, 2015 .

Hydroxyoxiranone: an ab initio MO investigation of the structure and stability of a model for a possible α-lactone intermediate in hydrolysis of sialyl glycosides

I. Williams, S. Firth-Clark, C. F. Rodriquez, 1997 .

Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands

Ricardo L. Mancera, Alfonso T. García-Sosa, Stuart Firth-Clark, 2005, J. Chem. Inf. Model..

Assessment of Binding Affinity via Alchemical Free-Energy Calculations

J. Michel, P. Tosco, A. Mey, 2020, J. Chem. Inf. Model..

Generation and Selection of Novel Estrogen Receptor Ligands Using the De Novo Structure-Based Design Tool, SkelGen

Anthony Williams, William Harris, Stuart Firth-Clark, 2006, J. Chem. Inf. Model..

De Novo Ligand Design to Partially Flexible Active Sites: Application of the ReFlex Algorithm to Carboxypeptidase A, Acetylcholinesterase, and the Estrogen Receptor

Stewart B. Kirton, Anthony Williams, Stuart Firth-Clark, 2008, J. Chem. Inf. Model..