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ORCIDChristopher W. Murray
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Journal Articles
- 2011
[j18]Paul N. Mortenson
, Christopher W. Murray:
Assessing the lipophilicity of fragments and early hits. J. Comput. Aided Mol. Des. 25(7): 663-667 (2011)- 2008
- [j17]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): 2214-2225 (2008) - 2004
- [j16]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): 793-806 (2004) - 2002
- [j15]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): 741-753 (2002) - [j14]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): 855-869 (2002) - 2000
- [j13]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): 254-262 (2000) - 1999
- [j12]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): 547-562 (1999) - 1998
- [j11]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): 503-519 (1998) - 1997
- [j10]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): 193-207 (1997) - [j9]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): 209-228 (1997) - [j8]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): 425-445 (1997) - 1996
- [j7]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): 397-416 (1996) - [j6]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): 137-145 (1996) - 1995
- [j5]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): 13-32 (1995) - [j4]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): 139-148 (1995) - [j3]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): 213-225 (1995) - [j2]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): 381-395 (1995) - [j1]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): 914-923 (1995)
Informal and Other Publications
- 2022
- [i1]Carl Poelking, Gianni Chessari, Christopher W. Murray, Richard J. Hall, Lucy J. Colwell, Marcel L. Verdonk:
Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns. CoRR abs/2204.06348 (2022)
Coauthor Index
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