Christopher W. Murray - researchr alias

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2011

Assessing the lipophilicity of fragments and early hitsPaul N. Mortenson, Christopher W. Murray. jcamd, 25(7):663-667, 2011. [doi]

2004

Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial EnrichmentMarcel L. Verdonk, Valerio Berdini, Michael J. Hartshorn, Wijnand T. M. Mooij, Christopher W. Murray, Richard D. Taylor, Paul Watson II. jcisd, 44(3):793-806, 2004. [doi]

2002

Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidaseLouise Birch, Christopher W. Murray, Michael J. Hartshorn, Ian J. Tickle, Marcel L. Verdonk. jcamd, 16(12):855-869, 2002. [doi]

The consequences of translational and rotational entropy lost by small molecules on binding to proteinsChristopher W. Murray, Marcel L. Verdonk. jcamd, 16(10):741-753, 2002. [doi]

2000

New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical DatabasesCarol A. Baxter, Christopher W. Murray, Bohdan Waszkowycz, Jin Li, Richard A. Sykes, Richard G. A. Bone, Tim D. J. Perkins, William Wylie. jcisd, 40(2):254-262, 2000. [doi]

1999

The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidaseChristopher W. Murray, Carol A. Baxter, A. David Frenkel. jcamd, 13(6):547-562, 1999. [doi]

1998

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 modelChristopher W. Murray, Timothy R. Auton, Matthew D. Eldridge. jcamd, 12(5):503-519, 1998. [doi]

1997

1996

Active-site-directed 3D database searching: Pharmacophore extraction and validation of hitsDavid E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray. jcamd, 10(5):397-416, 1996.

MOLMAKER: De Novo Generation of 3D Databases for Use in Drug DesignDavid E. Clark, Michael A. Firth, Christopher W. Murray. jcisd, 36(1):137-145, 1996. [doi]

1995

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic moleculesDavid E. Clark, David Frenkel, Stephen A. Levy, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead. jcamd, 9(1):13-32, 1995.

PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated StructuresDavid E. Clark, Christopher W. Murray. jcisd, 35(5):914-923, 1995.

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptidesDavid Frenkel, David E. Clark, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead. jcamd, 9(3):213-225, 1995.

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptidesChristopher W. Murray, David E. Clark, Deirdre G. Byrne. jcamd, 9(5):381-395, 1995.

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinementDavid R. Westhead, David E. Clark, David Frenkel, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz. jcamd, 9(2):139-148, 1995.