Jason C. Cole
Orcid: 0000-0002-0291-6317
According to our database1,
Jason C. Cole
authored at least 26 papers
between 1997 and 2023.
Collaborative distances:
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Bibliography
2023
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.
J. Cheminformatics, December, 2023
J. Chem. Inf. Model., October, 2023
2022
Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.
J. Chem. Inf. Model., 2022
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J. Comput. Aided Mol. Des., 2022
2021
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods.
J. Chem. Inf. Model., 2021
2020
Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J. Chem. Inf. Model., 2020
Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design.
J. Chem. Inf. Model., 2020
2018
J. Chem. Inf. Model., 2018
2016
J. Chem. Inf. Model., 2016
2014
Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules.
J. Chem. Inf. Model., 2014
Kernel Density Estimation Applied to Bond Length, Bond Angle, and Torsion Angle Distributions.
J. Chem. Inf. Model., 2014
J. Chem. Inf. Model., 2014
Kernel density estimation of CSD distributions - an application to knowledge based molecular optimisation.
J. Cheminformatics, 2014
2013
How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening.
J. Cheminformatics, 2013
2012
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data.
J. Chem. Inf. Model., 2012
The assessment of computationally derived protein ensembles in protein-ligand docking.
J. Cheminformatics, 2012
Development and validation of an improved algorithm for overlaying flexible molecules.
J. Comput. Aided Mol. Des., 2012
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.
J. Comput. Aided Mol. Des., 2012
2011
The Ensemble Performance Index: An Improved Measure for Assessing Ensemble Pose Prediction Performance.
J. Chem. Inf. Model., 2011
2010
Proceedings of the Swarm Intelligence - 7th International Conference, 2010
2009
J. Chem. Inf. Model., 2009
Secbase: Database Module To Retrieve Secondary Structure Elements with Ligand Binding Motifs.
J. Chem. Inf. Model., 2009
2004
J. Chem. Inf. Model., 2004
1997
J. Comput. Aided Mol. Des., 1997