Stuart Firth-Clark - researchr alias

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Viewing Publication 1 - 5 from 5

2020

Assessment of Binding Affinity via Alchemical Free-Energy CalculationsMaximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel. jcisd, 60(6):3120-3130, 2020. [doi]

2008

De Novo Ligand Design to Partially Flexible Active Sites: Application of the ReFlex Algorithm to Carboxypeptidase A, Acetylcholinesterase, and the Estrogen ReceptorStuart Firth-Clark, Stewart B. Kirton, Henriëtte M. G. Willems, Anthony Williams. jcisd, 48(2):296-305, 2008. [doi]

2006

Generation and Selection of Novel Estrogen Receptor Ligands Using the ::::De Novo:::: Structure-Based Design Tool, SkelGenStuart Firth-Clark, Henriëtte M. G. Willems, Anthony Williams, William Harris. jcisd, 46(2):642-647, 2006. [doi]

Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-GyraseStuart Firth-Clark, Nikolay P. Todorov, Ian L. Alberts, Anthony Williams, Timothy James, Philip M. Dean. jcisd, 46(3):1168-1173, 2006. [doi]

2005

Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase LigandsAlfonso T. García-Sosa, Stuart Firth-Clark, Ricardo L. Mancera. jcisd, 45(3):624-633, 2005. [doi]

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