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ORCIDRoderick E. Hubbard
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2020 – today
- 2023
[j10]Stephanie Wills
, Ruben Sanchez-Garcia, Tim Dudgeon, Stephen D. Roughley, Andy Merritt, Roderick E. Hubbard, James Davidson, Frank von Delft, Charlotte M. Deane:
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search. J. Chem. Inf. Model. 63(11): 3423-3437 (2023)
2010 – 2019
- 2014
- [j9]Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, A. Beatriz Garmendia-Doval, Szilveszter Juhos, Peter Schmidtke, Xavier Barril, Roderick E. Hubbard, S. David Morley:
rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. PLoS Comput. Biol. 10(4) (2014) - 2011
- [j8]M. N. Schulz, J. Landström, K. Bright, Roderick E. Hubbard:
Design of a Fragment Library that maximally represents available chemical space. J. Comput. Aided Mol. Des. 25(7): 611-620 (2011) - [j7]Muhammad K. Haider, Hugues-Olivier Bertrand, Roderick E. Hubbard:
Predicting Fragment Binding Poses Using a Combined MCSS MM-GBSA Approach. J. Chem. Inf. Model. 51(5): 1092-1105 (2011)
2000 – 2009
- 2009
- [j6]I-Jen Chen, Roderick E. Hubbard:
Lessons for fragment library design: analysis of output from multiple screening campaigns. J. Comput. Aided Mol. Des. 23(8): 603-620 (2009) - 2006
- [j5]Ana P. C. Rodrigues, Barry J. Grant, Roderick E. Hubbard:
sgTarget: a target selection resource for structural genomics. Nucleic Acids Res. 34(Web-Server-Issue): 225-230 (2006) - 2004
- [j4]Nicolas Baurin, R. Baker, Christine M. Richardson, I-Jen Chen, Nicolas Foloppe, Andrew Potter, A. Jordan, Stephen D. Roughley, Martin J. Parratt, P. Greaney, D. Morley, Roderick E. Hubbard:
Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds. J. Chem. Inf. Model. 44(2): 643-651 (2004) - [j3]Nicolas Baurin, Fareed Aboul-Ela, Xavier Barril, Ben Davis, Martin Drysdale, Brian Dymock, Harry Finch, Christophe Fromont, Christine M. Richardson, Heather Simmonite, Roderick E. Hubbard:
Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets. J. Chem. Inf. Model. 44(6): 2157-2166 (2004) - 2003
- [j2]Ana P. C. Rodrigues, Roderick E. Hubbard:
Making Decisions for Structural Genomics. Briefings Bioinform. 4(2): 150-167 (2003)
1990 – 1999
- 1995
- [j1]Susan M. Boyd, Martin Beverley, Leif Norskov, Roderick E. Hubbard:
Characterising the geometric diversity of functional groups in chemical databases. J. Comput. Aided Mol. Des. 9(5): 417-424 (1995)
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