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John Karanicolas
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2020 – today
- 2021
- [j8]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): 1368-1382 (2021) - [j7]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): 5967-5987 (2021) - 2020
- [i1]Shipra Malhotra, John Karanicolas:
A Numerical Transform of Random Forest Regressors corrects Systematically-Biased Predictions. CoRR abs/2003.07445 (2020)
2010 – 2019
- 2017
- [j6]Alex Dickson
, Christopher T. Bailey, John Karanicolas:
Optimal allosteric stabilization sites using contact stabilization analysis. J. Comput. Chem. 38(15): 1138-1146 (2017) - [j5]Andrea Bazzoli, John Karanicolas
:
"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics. J. Comput. Chem. 38(16): 1321-1331 (2017) - 2016
- [j4]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): 399-411 (2016) - 2015
- [j3]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) - 2013
- [j2]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): 2073-2081 (2013) - [j1]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)
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