John Karanicolas

Publication Activity (10 Years)

Years Active: 2013-2021
Publications (10 Years): 6

Top Topics

Virtual Screening

Protein Interaction

Feature Importance

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

PLoS Comput. Biol.

Publications

Grigorii V. Andrianov, Wern Juin Gabriel Ong, Ilya Serebriiskii, John Karanicolas
Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging. J. Chem. Inf. Model. 61 (12) (2021)
Nan Bai, Sven A. Miller, Grigorii V. Andrianov, Max Yates, Palani Kirubakaran, John Karanicolas
Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta. J. Chem. Inf. Model. 61 (3) (2021)
Shipra Malhotra, John Karanicolas
A Numerical Transform of Random Forest Regressors corrects Systematically-Biased Predictions. CoRR (2020)
Alex Dickson, Christopher T. Bailey, John Karanicolas
Optimal allosteric stabilization sites using contact stabilization analysis. J. Comput. Chem. 38 (15) (2017)
Andrea Bazzoli, John Karanicolas
"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics. J. Comput. Chem. 38 (16) (2017)
David K. Johnson, John Karanicolas
Ultra-High-Throughput Structure-Based Virtual Screening for Small-Molecule Inhibitors of Protein-Protein Interactions. J. Chem. Inf. Model. 56 (2) (2016)
David K. Johnson, John Karanicolas
Selectivity by Small-Molecule Inhibitors of Protein Interactions Can Be Driven by Protein Surface Fluctuations. PLoS Comput. Biol. 11 (2) (2015)
Ragul Gowthaman, Eric J. Deeds, John Karanicolas
Structural Properties of Non-Traditional Drug Targets Present New Challenges for Virtual Screening. J. Chem. Inf. Model. 53 (8) (2013)
David K. Johnson, John Karanicolas
Druggable Protein Interaction Sites Are More Predisposed to Surface Pocket Formation than the Rest of the Protein Surface. PLoS Comput. Biol. 9 (3) (2013)