John Karanicolas

According to our database, John Karanicolas authored at least 9 papers between 2013 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta.

Nan Bai, Sven A. Miller, Grigorii V. Andrianov, Max Yates, Palani Kirubakaran, John Karanicolas

J. Chem. Inf. Model., 2021

Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging.

Grigorii V. Andrianov, Wern Juin Gabriel Ong, Ilya Serebriiskii, John Karanicolas

J. Chem. Inf. Model., 2021

2020

A Numerical Transform of Random Forest Regressors corrects Systematically-Biased Predictions.

Shipra Malhotra, John Karanicolas

CoRR, 2020

2017

Optimal allosteric stabilization sites using contact stabilization analysis.

Alex Dickson, Christopher T. Bailey, John Karanicolas

J. Comput. Chem., 2017

"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.

Andrea Bazzoli, John Karanicolas

J. Comput. Chem., 2017

2016

Ultra-High-Throughput Structure-Based Virtual Screening for Small-Molecule Inhibitors of Protein-Protein Interactions.

David K. Johnson, John Karanicolas

J. Chem. Inf. Model., 2016

2015

Selectivity by Small-Molecule Inhibitors of Protein Interactions Can Be Driven by Protein Surface Fluctuations.

David K. Johnson, John Karanicolas

PLoS Comput. Biol., 2015

2013

Druggable Protein Interaction Sites Are More Predisposed to Surface Pocket Formation than the Rest of the Protein Surface.

David K. Johnson, John Karanicolas

PLoS Comput. Biol., 2013

Structural Properties of Non-Traditional Drug Targets Present New Challenges for Virtual Screening.

Ragul Gowthaman, Eric J. Deeds, John Karanicolas

J. Chem. Inf. Model., 2013