Christopher W. Murray

Publication Activity (10 Years)

Years Active: 1995-2022
Publications (10 Years): 1

Top Topics

Machine Learning Models

Bayesian Networks

Top Venues

Publications

Carl Poelking, Gianni Chessari, Christopher W. Murray, Richard J. Hall, Lucy Colwell, Marcel L. Verdonk
Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns. CoRR (2022)
Paul N. Mortenson, Christopher W. Murray
Assessing the lipophilicity of fragments and early hits. J. Comput. Aided Mol. Des. 25 (7) (2011)
Marcel L. Verdonk, Paul N. Mortenson, Richard J. Hall, Michael J. Hartshorn, Christopher W. Murray
Protein-Ligand Docking against Non-Native Protein Conformers. J. Chem. Inf. Model. 48 (11) (2008)
Marcel L. Verdonk, Valerio Berdini, Michael J. Hartshorn, Wijnand T. M. Mooij, Christopher W. Murray, Richard D. Taylor, Paul Watson
Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial Enrichment. J. Chem. Inf. Model. 44 (3) (2004)
Louise Birch, Christopher W. Murray, Michael J. Hartshorn, Ian J. Tickle, Marcel L. Verdonk
Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase. J. Comput. Aided Mol. Des. 16 (12) (2002)
Christopher W. Murray, Marcel L. Verdonk
The consequences of translational and rotational entropy lost by small molecules on binding to proteins. J. Comput. Aided Mol. Des. 16 (10) (2002)
Carol A. Baxter, Christopher W. Murray, Bohdan Waszkowycz, Jin Li, Richard A. Sykes, Richard G. A. Bone, Tim D. J. Perkins, William Wylie
New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases. J. Chem. Inf. Comput. Sci. 40 (2) (2000)
Christopher W. Murray, Carol A. Baxter, David A. Frenkel
The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase. J. Comput. Aided Mol. Des. 13 (6) (1999)
Christopher W. Murray, Timothy R. Auton, Matthew D. Eldridge
Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model. J. Comput. Aided Mol. Des. 12 (5) (1998)
David R. Westhead, David E. Clark, Christopher W. Murray
A comparison of heuristic search algorithms for molecular docking. J. Comput. Aided Mol. Des. 11 (3) (1997)
Matthew D. Eldridge, Christopher W. Murray, Timothy R. Auton, Gaia Valeria Paolini, Roger P. Mee
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput. Aided Mol. Des. 11 (5) (1997)
Christopher W. Murray, David E. Clark, Timothy R. Auton, Michael A. Firth, Jin Li, Richard A. Sykes, Bohdan Waszkowycz, David R. Westhead, Stephen C. Young
PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology. J. Comput. Aided Mol. Des. 11 (2) (1997)
David E. Clark, Michael A. Firth, Christopher W. Murray
MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design. J. Chem. Inf. Comput. Sci. 36 (1) (1996)
David E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray
Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits. J. Comput. Aided Mol. Des. 10 (5) (1996)
David E. Clark, David Frenkel, Stephen A. Levy, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules. J. Comput. Aided Mol. Des. 9 (1) (1995)
David Frenkel, David E. Clark, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead
PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides. J. Comput. Aided Mol. Des. 9 (3) (1995)
David E. Clark, Christopher W. Murray
PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures. J. Chem. Inf. Comput. Sci. 35 (5) (1995)
Christopher W. Murray, David E. Clark, Deirdre G. Byrne
PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides. J. Comput. Aided Mol. Des. 9 (5) (1995)
David R. Westhead, David E. Clark, David Frenkel, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz
PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement. J. Comput. Aided Mol. Des. 9 (2) (1995)