Christopher W. Murray

According to our database, Christopher W. Murray authored at least 19 papers between 1995 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns.

Carl Poelking, Gianni Chessari, Christopher W. Murray, Richard J. Hall, Lucy J. Colwell, Marcel L. Verdonk

CoRR, 2022

2011

Assessing the lipophilicity of fragments and early hits.

Paul N. Mortenson, Christopher W. Murray

J. Comput. Aided Mol. Des., 2011

2008

Protein-Ligand Docking against Non-Native Protein Conformers.

Marcel L. Verdonk, Paul N. Mortenson, Richard J. Hall, Michael J. Hartshorn, Christopher W. Murray

J. Chem. Inf. Model., 2008

2004

Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial Enrichment.

Marcel L. Verdonk, Valerio Berdini, Michael J. Hartshorn, Wijnand T. M. Mooij, Christopher W. Murray, Richard D. Taylor, Paul Watson

J. Chem. Inf. Model., 2004

2002

The consequences of translational and rotational entropy lost by small molecules on binding to proteins.

Christopher W. Murray, Marcel L. Verdonk

J. Comput. Aided Mol. Des., 2002

Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase.

Louise Birch, Christopher W. Murray, Michael J. Hartshorn, Ian J. Tickle, Marcel L. Verdonk

J. Comput. Aided Mol. Des., 2002

2000

New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases.

Carol A. Baxter, Christopher W. Murray, Bohdan Waszkowycz, Jin Li, Richard A. Sykes, Richard G. A. Bone, Tim D. J. Perkins, William Wylie

J. Chem. Inf. Comput. Sci., 2000

1999

The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase.

Christopher W. Murray, Carol A. Baxter, David A. Frenkel

J. Comput. Aided Mol. Des., 1999

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 model.

Christopher W. Murray, Timothy R. Auton, Matthew D. Eldridge

J. Comput. Aided Mol. Des., 1998

1997

A comparison of heuristic search algorithms for molecular docking.

David R. Westhead, David E. Clark, Christopher W. Murray

J. Comput. Aided Mol. Des., 1997

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology.

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

J. Comput. Aided Mol. Des., 1997

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

Matthew D. Eldridge, Christopher W. Murray, Timothy R. Auton, Gaia Valeria Paolini, Roger P. Mee

J. Comput. Aided Mol. Des., 1997

1996

MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design.

David E. Clark, Michael A. Firth, Christopher W. Murray

J. Chem. Inf. Comput. Sci., 1996

Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits.

David E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray

J. Comput. Aided Mol. Des., 1996

1995

PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures.

David E. Clark, Christopher W. Murray

J. Chem. Inf. Comput. Sci., 1995

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement.

David R. Westhead, David E. Clark, David Frenkel, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz

J. Comput. Aided Mol. Des., 1995

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides.

Christopher W. Murray, David E. Clark, Deirdre G. Byrne

J. Comput. Aided Mol. Des., 1995

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides.

David Frenkel, David E. Clark, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead

J. Comput. Aided Mol. Des., 1995

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules.

David E. Clark, David Frenkel, Stephen A. Levy, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead

J. Comput. Aided Mol. Des., 1995