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Christopher W. Murray

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2004
16EEMarcel L. Verdonk, Valerio Berdini, Michael J. Hartshorn, Wijnand T. M. Mooij, Christopher W. Murray, Richard D. Taylor, Paul Watson II: Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial Enrichment. Journal of Chemical Information and Modeling 44(3): 793-806 (2004)
2002
15EEChristopher W. Murray, Marcel L. Verdonk: The consequences of translational and rotational entropy lost by small molecules on binding to proteins. Journal of Computer-Aided Molecular Design 16(10): 741-753 (2002)
14EELouise 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. Journal of Computer-Aided Molecular Design 16(12): 855-869 (2002)
2000
13EECarol 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. Journal of Chemical Information and Computer Sciences 40(2): 254-262 (2000)
1999
12EEChristopher W. Murray, Carol A. Baxter, A. David Frenkel: The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase. Journal of Computer-Aided Molecular Design 13(6): 547-562 (1999)
1998
11EEChristopher 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. Journal of Computer-Aided Molecular Design 12(5): 503-519 (1998)
1997
10EEChristopher 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. Journal of Computer-Aided Molecular Design 11(2): 193-207 (1997)
9EEDavid R. Westhead, David E. Clark, Christopher W. Murray: A comparison of heuristic search algorithms for molecular docking. Journal of Computer-Aided Molecular Design 11(3): 209-228 (1997)
8EEMatthew 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. Journal of Computer-Aided Molecular Design 11(5): 425-445 (1997)
1996
7EEDavid E. Clark, Michael A. Firth, Christopher W. Murray: MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design. Journal of Chemical Information and Computer Sciences 36(1): 137-145 (1996)
6 David E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray: Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits. Journal of Computer-Aided Molecular Design 10(5): 397-416 (1996)
1995
5 David E. Clark, Christopher W. Murray: PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures. Journal of Chemical Information and Computer Sciences 35(5): 914-923 (1995)
4 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. Journal of Computer-Aided Molecular Design 9(1): 13-32 (1995)
3 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. Journal of Computer-Aided Molecular Design 9(2): 139-148 (1995)
2 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. Journal of Computer-Aided Molecular Design 9(3): 213-225 (1995)
1 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. Journal of Computer-Aided Molecular Design 9(5): 381-395 (1995)

Coauthor Index

1Timothy R. Auton [8] [10] [11]
2Carol A. Baxter [12] [13]
3Valerio Berdini [16]
4Louise Birch [14]
5Richard G. A. Bone [13]
6Deirdre G. Byrne [1]
7David E. Clark [1] [2] [3] [4] [5] [6] [7] [9] [10]
8Matthew D. Eldridge [8] [11]
9Michael A. Firth [7] [10]
10A. David Frenkel [12]
11David Frenkel [2] [3] [4]
12Michael J. Hartshorn [14] [16]
13Stephen A. Levy [4]
14Jin Li [2] [3] [4] [10] [13]
15Roger P. Mee [8]
16Wijnand T. M. Mooij [16]
17Gaia Valeria Paolini [8]
18Tim D. J. Perkins [13]
19Barry Robson [2] [3] [4]
20Richard A. Sykes [6] [10] [13]
21Richard D. Taylor [16]
22Ian J. Tickle [14]
23Marcel L. Verdonk [14] [15] [16]
24Bohdan Waszkowycz [2] [3] [4] [10] [13]
25Paul Watson II [16]
26David R. Westhead [2] [3] [4] [6] [9] [10]
27William Wylie [13]
28Stephen C. Young [10]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)