John W. Liebeschuetz

According to our database, John W. Liebeschuetz authored at least 10 papers between 2008 and 2012.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2012

Potential and Limitations of Ensemble Docking.

Oliver Korb, Tjelvar S. G. Olsson, Simon Bowden, Richard J. Hall, Marcel L. Verdonk, John W. Liebeschuetz, Jason C. Cole

J. Chem. Inf. Model., 2012

Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data.

Simon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz

J. Chem. Inf. Model., 2012

The Hydrogen Bond Environments of 1<i>H</i>-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism.

Frank H. Allen, Colin R. Groom, John W. Liebeschuetz, David A. Bardwell, Tjelvar S. G. Olsson, Peter A. Wood

J. Chem. Inf. Model., 2012

Computational design of a Diels-Alderase from a thermophilic esterase: the importance of dynamics.

Mats Linder, Adam Johannes Johansson, Tjelvar S. G. Olsson, John W. Liebeschuetz, Tore Brinck

J. Comput. Aided Mol. Des., 2012

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.

John W. Liebeschuetz, Jana Hennemann, Tjelvar S. G. Olsson, Colin R. Groom

J. Comput. Aided Mol. Des., 2012

Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.

John W. Liebeschuetz, Jason C. Cole, Oliver Korb

J. Comput. Aided Mol. Des., 2012

2011

Designing a New Diels-Alderase: A Combinatorial, Semirational Approach Including Dynamic Optimization.

Mats Linder, Adam Johannes Johansson, Tjelvar S. G. Olsson, John W. Liebeschuetz, Tore Brinck

J. Chem. Inf. Model., 2011

2010

Ensemble docking revisited.

Oliver Korb, Simon Bowden, Tjelvar S. G. Olsson, David Frenkel, John W. Liebeschuetz, Jason C. Cole

J. Cheminformatics, 2010

2009

Testing Assumptions and Hypotheses for Rescoring Success in Protein-Ligand Docking.

Noel M. O'Boyle, John W. Liebeschuetz, Jason C. Cole

J. Chem. Inf. Model., 2009

2008

Evaluating docking programs: keeping the playing field level.

John W. Liebeschuetz

J. Comput. Aided Mol. Des., 2008