Showing results (1-10 of 10) with videos related to
Sort By:
Pageof 1
Journal of Chemical Information and Modeling|June 1, 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 ManceraJournal of Chemical Information and Modeling|March 28, 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, et al.Journal of Chemical Information and Modeling|February 1, 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, et al.Expert Opinion on Drug Discovery|March 19, 2013
SkelGen: a general tool for structure-based de novo ligand designPhilip M Dean, Stuart Firth-Clark, William Harris, et al.Journal of Chemical Information and Modeling|May 23, 2006
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, et al.Journal of Chemical Information and Modeling|May 22, 2020
Assessment of Binding Affinity via Alchemical Free-Energy CalculationsMaximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, et al.Nucleic Acids Research|April 4, 2017
New inhibitor targeting human transcription factor HSF1: effects on the heat shock response and tumor cell survivalNuria Vilaboa, Alba Boré, Francisco Martin-Saavedra, et al.BMC Microbiology|September 4, 2014
Clostridium difficile has a single sortase, SrtB, that can be inhibited by small-molecule inhibitorsElizabeth H Donahue, Lisa F Dawson, Esmeralda Valiente, et al.Journal of Medicinal Chemistry|November 4, 2014
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 asthmaGary K Newton, Trevor R Perrior, Kerry Jenkins, et al.ACS Pharmacology & Translational Science|September 16, 2022
Targeting an Initiator Allergen Provides Durable and Expansive Protection against House Dust Mite AllergyJihui Zhang, Jie Chen, Jonathan P Richardson, et al.Pageof 1