Christopher W. Murray

19 papers Journal 19

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