John W. Liebeschuetz

Publication Activity (10 Years)

Years Active: 2008-2012
Publications (10 Years): 0

Top Topics

Scoring Function

Virtual Screening

Structural Motifs

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Simon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data. J. Chem. Inf. Model. 52 (4) (2012)
Frank H. Allen, Colin R. Groom, John W. Liebeschuetz, David A. Bardwell, Tjelvar S. G. Olsson, Peter A. Wood
-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism. J. Chem. Inf. Model. 52 (3) (2012)
Mats Linder, Adam Johannes Johansson, Tjelvar S. G. Olsson, John W. Liebeschuetz, Tore Brinck
Computational design of a Diels-Alderase from a thermophilic esterase: the importance of dynamics. J. Comput. Aided Mol. Des. 26 (9) (2012)
John W. Liebeschuetz, Jason C. Cole, Oliver Korb
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test. J. Comput. Aided Mol. Des. 26 (6) (2012)
Oliver Korb, Tjelvar S. G. Olsson, Simon Bowden, Richard J. Hall, Marcel L. Verdonk, John W. Liebeschuetz, Jason C. Cole
Potential and Limitations of Ensemble Docking. J. Chem. Inf. Model. 52 (5) (2012)
John W. Liebeschuetz, Jana Hennemann, Tjelvar S. G. Olsson, Colin R. Groom
The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures. J. Comput. Aided Mol. Des. 26 (2) (2012)
Mats Linder, Adam Johannes Johansson, Tjelvar S. G. Olsson, John W. Liebeschuetz, Tore Brinck
Designing a New Diels-Alderase: A Combinatorial, Semirational Approach Including Dynamic Optimization. J. Chem. Inf. Model. 51 (8) (2011)
Oliver Korb, Simon Bowden, Tjelvar S. G. Olsson, David Frenkel, John W. Liebeschuetz, Jason C. Cole
Ensemble docking revisited. J. Cheminformatics 2 (S-1) (2010)
Noel M. O'Boyle, John W. Liebeschuetz, Jason C. Cole
Testing Assumptions and Hypotheses for Rescoring Success in Protein-Ligand Docking. J. Chem. Inf. Model. 49 (8) (2009)
John W. Liebeschuetz
Evaluating docking programs: keeping the playing field level. J. Comput. Aided Mol. Des. 22 (3-4) (2008)