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Up a level2023
Bradley, Erin and Fusani, Lucia and Chung, Chun-wa and Craggs, Peter D. and Demont, Emmanuel H. and Humphreys, Philip G. and Mitchell, Darren J. and Phillipou, Alexander and Rioja, Inmaculada and Shah, Rishi R. and Wellaway, Christopher R. and Prinjha, Rab K. and Palmer, David S. and Kerr, William J. and Reid, Marc and Wall, Ian D. and Cookson, Rosa (2023) Structure-guided design of a domain-selective bromodomain and extra terminal N-terminal bromodomain chemical probe. Journal of Medicinal Chemistry, 66 (23). pp. 15728-15749. ISSN 0022-2623
2020
Fusani, Lucia and Palmer, David S. and Somers, Donald O. and Wall, Ian D. (2020) Exploring ligand stability in protein crystal structures using binding pose metadynamics. Journal of Chemical Information and Modeling, 60 (3). pp. 1528-1539. ISSN 1549-9596
2018
Fusani, Lucia and Wall, Ian and Palmer, David and Cortes, Alvaro (2018) Optimal water networks in protein cavities with GAsol and 3D-RISM. Bioinformatics. ISSN 1367-4811