Roderick E. Hubbard

According to our database, Roderick E. Hubbard authored at least 10 papers between 1995 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.

Stephanie Wills, Ruben Sanchez-Garcia, Tim Dudgeon, Stephen D. Roughley, Andy Merritt, Roderick E. Hubbard, James Davidson, Frank von Delft, Charlotte M. Deane

J. Chem. Inf. Model., June, 2023

2014

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids.

Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, A. Beatriz Garmendia-Doval, Szilveszter Juhos, Peter Schmidtke, Xavier Barril, Roderick E. Hubbard, S. David Morley

PLoS Comput. Biol., 2014

2011

Predicting Fragment Binding Poses Using a Combined MCSS MM-GBSA Approach.

Muhammad K. Haider, Hugues-Olivier Bertrand, Roderick E. Hubbard

J. Chem. Inf. Model., 2011

Design of a Fragment Library that maximally represents available chemical space.

M. N. Schulz, J. Landström, K. Bright, Roderick E. Hubbard

J. Comput. Aided Mol. Des., 2011

2009

Lessons for fragment library design: analysis of output from multiple screening campaigns.

I-Jen Chen, Roderick E. Hubbard

J. Comput. Aided Mol. Des., 2009

2006

sgTarget: a target selection resource for structural genomics.

Ana P. C. Rodrigues, Barry J. Grant, Roderick E. Hubbard

Nucleic Acids Res., 2006

2004

Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds.

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

J. Chem. Inf. Model., 2004

Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets.

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

J. Chem. Inf. Model., 2004

2003

Making Decisions for Structural Genomics.

Ana P. C. Rodrigues, Roderick E. Hubbard

Briefings Bioinform., 2003

1995

Characterising the geometric diversity of functional groups in chemical databases.

Susan M. Boyd, Martin Beverley, Leif Norskov, Roderick E. Hubbard

J. Comput. Aided Mol. Des., 1995