Jason C. Cole

29 papers Journal 28Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Quantifying Molecular Flexibility Using Crystallographically Accessible Conformational Space.
J. Chem. Inf. Model.
Patrick McCabe, Jason C. Cole
2025 J jnl
Data-Driven Generation of Conformational Ensembles and Ternary Complexes for PROTAC and Other Chimera Systems.
J. Chem. Inf. Model.
Fabio Montisci, Laura Friggeri, Kepa K. Burusco-Goni, Patrick McCabe, Bojana Popovic, Jason C. Cole
2023 J jnl
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.
J. Cheminformatics
Benoit Baillif, Jason C. Cole, Ilenia Giangreco, Patrick McCabe, Andreas Bender
2023 J jnl
Augmented Reality for Enhanced Visualization of MOF Adsorbents.
J. Chem. Inf. Model.
Lawson T. Glasby, Rama Oktavian, Kewei Zhu, Joan L. Cordiner, Jason C. Cole, Peyman Z. Moghadam
2022 J jnl
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J. Comput. Aided Mol. Des.
Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn
2022 J jnl
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.
J. Chem. Inf. Model.
Mihaela D. Smilova, Peter R. Curran, Chris J. Radoux, Frank von Delft, Jason C. Cole, Anthony R. Bradley, Brian D. Marsden
2021 J jnl
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods.
J. Chem. Inf. Model.
Ilenia Giangreco, Abhik Mukhopadhyay, Jason C. Cole
2020 J jnl
Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design.
J. Chem. Inf. Model.
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
2020 J jnl
Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J. Chem. Inf. Model.
Andreas Tosstorff, Jason C. Cole, Robin Taylor, Seth F. Harris, Bernd Kuhn
2018 J jnl
Knowledge-Based Conformer Generation Using the Cambridge Structural Database.
J. Chem. Inf. Model.
Jason C. Cole, Oliver Korb, Patrick McCabe, Murray G. Read, Robin Taylor
2016 J jnl
Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures.
J. Chem. Inf. Model.
Jason C. Cole, Colin R. Groom, Oliver Korb, Patrick McCabe, Gregory P. Shields
2014 J jnl
Assessment of a Cambridge Structural Database-Driven Overlay Program.
J. Chem. Inf. Model.
Ilenia Giangreco, Tjelvar S. G. Olsson, Jason C. Cole, Martin J. Packer
2014 J jnl
Kernel Density Estimation Applied to Bond Length, Bond Angle, and Torsion Angle Distributions.
J. Chem. Inf. Model.
Patrick McCabe, Oliver Korb, Jason C. Cole
2014 J jnl
Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisation.
J. Cheminformatics
Patrick McCabe, Oliver Korb, Jason C. Cole, Robin Taylor
2014 J jnl
Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules.
J. Chem. Inf. Model.
Robin Taylor, Jason C. Cole, Oliver Korb, Patrick McCabe
2013 J jnl
How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening.
J. Cheminformatics
Barbara Sander, Oliver Korb, Jason C. Cole, Jonathan W. Essex
2012 J jnl
Development and validation of an improved algorithm for overlaying flexible molecules.
J. Comput. Aided Mol. Des.
Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb
2012 J jnl
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.
J. Comput. Aided Mol. Des.
John W. Liebeschuetz, Jason C. Cole, Oliver Korb
2012 J jnl
Potential and Limitations of Ensemble Docking.
J. Chem. Inf. Model.
Oliver Korb, Tjelvar S. G. Olsson, Simon Bowden, Richard J. Hall, Marcel L. Verdonk, John W. Liebeschuetz, Jason C. Cole
2012 J jnl
The assessment of computationally derived protein ensembles in protein-ligand docking.
J. Cheminformatics
Barbara Sander, Oliver Korb, Jason C. Cole, Jonathan W. Essex
2012 J jnl
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data.
J. Chem. Inf. Model.
Simon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz
2011 J jnl
The Ensemble Performance Index: An Improved Measure for Assessing Ensemble Pose Prediction Performance.
J. Chem. Inf. Model.
Oliver Korb, Patrick McCabe, Jason C. Cole
2010 — conf
Ant Colony Optimisation for Ligand Docking.
ANTS Conference
Oliver Korb, Jason C. Cole
2010 J jnl
Ensemble docking revisited.
J. Cheminformatics
Oliver Korb, Simon Bowden, Tjelvar S. G. Olsson, David Frenkel, John W. Liebeschuetz, Jason C. Cole
2009 J jnl
Secbase: Database Module To Retrieve Secondary Structure Elements with Ligand Binding Motifs.
J. Chem. Inf. Model.
Oliver Koch, Jason C. Cole, Peter Block, Gerhard Klebe
2009 J jnl
Testing Assumptions and Hypotheses for Rescoring Success in Protein-Ligand Docking.
J. Chem. Inf. Model.
Noel M. O'Boyle, John W. Liebeschuetz, Jason C. Cole
2004 J jnl
Retrieval of Crystallographically-Derived Molecular Geometry Information.
J. Chem. Inf. Model.
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
1998 J jnl
IsoStar: A library of information about nonbonded interactions.
J. Comput. Aided Mol. Des.
Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk
1997 J jnl
IsoStar: A library of information about nonbonded interactions.
J. Comput. Aided Mol. Des.
Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk