IsoStar: A library of information about nonbonded interactions. - Ian J. Bruno; Jason C. Cole; Jos P. M. Lommerse; R. Scott Rowland; Robin Taylor; Marcel L. Verdonk (J. Comput. Aided Mol. Des., 1997)

Retrieval of Crystallographically-Derived Molecular Geometry Information. - Ian J. Bruno; Jason C. Cole; Magnus Kessler; Jie Luo; W. D. Sam Motherwell; Lucy H. Purkis; Barry R. Smith; Robin Taylor; Richard I. Cooper; Stephanie E. Harris; A. Guy Orpen (J. Chem. Inf. Model., 2004)

Secbase: Database Module To Retrieve Secondary Structure Elements with Ligand Binding Motifs. - Oliver Koch; Jason C. Cole; Peter Block; Gerhard Klebe (J. Chem. Inf. Model., 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)

Ant Colony Optimisation for Ligand Docking. - Oliver Korb; Jason C. Cole (ANTS Conference, 2010)

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

The Ensemble Performance Index: An Improved Measure for Assessing Ensemble Pose Prediction Performance. - Oliver Korb; Patrick McCabe; Jason C. Cole (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)

Development and validation of an improved algorithm for overlaying flexible molecules. - Robin Taylor; Jason C. Cole; David A. Cosgrove; Eleanor J. Gardiner; Valerie J. Gillet; Oliver Korb (J. Comput. Aided Mol. Des., 2012)

The assessment of computationally derived protein ensembles in protein-ligand docking. - Barbara Sander; Oliver Korb; Jason C. Cole; Jonathan W. Essex (J. Cheminformatics, 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)

How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening. - Barbara Sander; Oliver Korb; Jason C. Cole; Jonathan W. Essex (J. Cheminformatics, 2013)

Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisation. - Patrick McCabe; Oliver Korb; Jason C. Cole; Robin Taylor (J. Cheminformatics, 2014)

Assessment of a Cambridge Structural Database-Driven Overlay Program. - Ilenia Giangreco; Tjelvar S. G. Olsson; Jason C. Cole; Martin J. Packer (J. Chem. Inf. Model., 2014)

Kernel Density Estimation Applied to Bond Length, Bond Angle, and Torsion Angle Distributions. - Patrick McCabe; Oliver Korb; Jason C. Cole (J. Chem. Inf. Model., 2014)

Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules. - Robin Taylor; Jason C. Cole; Oliver Korb; Patrick McCabe (J. Chem. Inf. Model., 2014)

Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures. - Jason C. Cole; Colin R. Groom; Oliver Korb; Patrick McCabe; Gregory P. Shields (J. Chem. Inf. Model., 2016)

Knowledge-Based Conformer Generation Using the Cambridge Structural Database. - Jason C. Cole; Oliver Korb; Patrick McCabe; Murray G. Read; Robin Taylor (J. Chem. Inf. Model., 2018)

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design. - Peter R. Curran; Chris J. Radoux; Mihaela D. Smilova; Richard A. Sykes; Alicia P. Higueruelo; Anthony R. Bradley; Brian D. Marsden; David R. Spring; Tom L. Blundell; Andrew R. Leach; William R. Pitt; Jason C. Cole (J. Chem. Inf. Model., 2020)

Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization. - Andreas Tosstorff; Jason C. Cole; Robin Taylor; Seth F. Harris; Bernd Kuhn (J. Chem. Inf. Model., 2020)

Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods. - Ilenia Giangreco; Abhik Mukhopadhyay; Jason C. Cole (J. Chem. Inf. Model., 2021)

A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. - Andreas Tosstorff; Markus G. Rudolph; Jason C. Cole; Michael Reutlinger; Christian Kramer; Hervé Schaffhauser; Agnès Nilly; Alexander Flohr; Bernd Kuhn (J. Comput. Aided Mol. Des., 2022)

Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins. - Mihaela D. Smilova; Peter R. Curran; Chris J. Radoux; Frank von Delft; Jason C. Cole; Anthony R. Bradley; Brian D. Marsden (J. Chem. Inf. Model., 2022)

Augmented Reality for Enhanced Visualization of MOF Adsorbents. - Lawson T. Glasby; Rama Oktavian; Kewei Zhu; Joan L. Cordiner; Jason C. Cole; Peyman Z. Moghadam (J. Chem. Inf. Model., 2023)

Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations. - Benoit Baillif; Jason C. Cole; Ilenia Giangreco; Patrick McCabe; Andreas Bender 002 (J. Cheminformatics, 2023)