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ORCIDJohn W. Liebeschuetz
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Journal Articles
- 2012
[j10]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): 169-183 (2012)- [j9]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): 737-748 (2012) - [j8]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): 1079-1095 (2012) - [j7]Frank H. Allen, Colin R. Groom, John W. Liebeschuetz, David A. Bardwell, Tjelvar S. G. Olsson, Peter A. Wood:
The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism. J. Chem. Inf. Model. 52(3): 857-866 (2012) - [j6]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): 956-962 (2012) - [j5]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): 1262-1274 (2012) - 2011
- [j4]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): 1906-1917 (2011) - 2010
- [j3]Oliver Korb, Simon Bowden, Tjelvar S. G. Olsson, David Frenkel, John W. Liebeschuetz, Jason C. Cole:
Ensemble docking revisited. J. Cheminformatics 2(S-1): 25 (2010) - 2009
- [j2]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): 1871-1878 (2009) - 2008
- [j1]John W. Liebeschuetz:
Evaluating docking programs: keeping the playing field level. J. Comput. Aided Mol. Des. 22(3-4): 229-238 (2008)
Coauthor Index
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