Evaluating docking programs: keeping the playing field level. - John W. Liebeschuetz (J. Comput. Aided Mol. Des., 2008)

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)

Ensemble docking revisited. - Oliver Korb; Simon Bowden; Tjelvar S. G. Olsson; David Frenkel; John W. Liebeschuetz; Jason C. Cole (J. Cheminformatics, 2010)

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)

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)

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)

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 Hydrogen Bond Environments of 1H-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)

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)

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)