Karanicolas J - Search Results

1

Isothermal Analysis of ThermoFluor Data can readily provide Quantitative Binding Affinities.

Bai N, Roder H, Dickson A, Karanicolas J. Bai N, et al. Among authors: karanicolas j. Sci Rep. 2019 Feb 25;9(1):2650. doi: 10.1038/s41598-018-37072-x. Sci Rep. 2019. PMID: 30804351 Free PMC article.

2

DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites.

Gowthaman R, Miller SA, Rogers S, Khowsathit J, Lan L, Bai N, Johnson DK, Liu C, Xu L, Anbanandam A, Aubé J, Roy A, Karanicolas J. Gowthaman R, et al. Among authors: karanicolas j. J Med Chem. 2016 May 12;59(9):4152-70. doi: 10.1021/acs.jmedchem.5b00150. Epub 2015 Jul 10. J Med Chem. 2016. PMID: 26126123 Free PMC article.

3

Optimal allosteric stabilization sites using contact stabilization analysis.

Dickson A, Bailey CT, Karanicolas J. Dickson A, et al. Among authors: karanicolas j. J Comput Chem. 2017 Jun 5;38(15):1138-1146. doi: 10.1002/jcc.24517. Epub 2016 Oct 24. J Comput Chem. 2017. PMID: 27774625 Free PMC article.

4

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta.

Bai N, Miller SA, Andrianov GV, Yates M, Kirubakaran P, Karanicolas J. Bai N, et al. Among authors: karanicolas j. J Chem Inf Model. 2021 Mar 22;61(3):1368-1382. doi: 10.1021/acs.jcim.0c01451. Epub 2021 Feb 24. J Chem Inf Model. 2021. PMID: 33625214 Free PMC article.

5

Rationally designed inhibitors of the Musashi protein-RNA interaction by hotspot mimicry.

Bai N, Adeshina Y, Bychkov I, Xia Y, Gowthaman R, Miller SA, Gupta AK, Johnson DK, Lan L, Golemis EA, Makhov PB, Xu L, Pillai MM, Boumber Y, Karanicolas J. Bai N, et al. Among authors: karanicolas j. Res Sq [Preprint]. 2023 Jan 10:rs.3.rs-2395172. doi: 10.21203/rs.3.rs-2395172/v1. Res Sq. 2023. PMID: 36711552 Free PMC article. Preprint.

6

Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations.

Johnson DK, Karanicolas J. Johnson DK, et al. Among authors: karanicolas j. PLoS Comput Biol. 2015 Feb 23;11(2):e1004081. doi: 10.1371/journal.pcbi.1004081. eCollection 2015 Feb. PLoS Comput Biol. 2015. PMID: 25706586 Free PMC article.

7

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

Johnson DK, Karanicolas J. Johnson DK, et al. Among authors: karanicolas j. J Chem Inf Model. 2016 Feb 22;56(2):399-411. doi: 10.1021/acs.jcim.5b00572. Epub 2016 Jan 14. J Chem Inf Model. 2016. PMID: 26726827 Free PMC article.

8

Modulating Antibody Structure and Function through Directed Mutations and Chemical Rescue.

Kaiser CE, Rincon Pabon JP, Khowsathit J, Castaldi MP, Kazmirski SL, Weis DD, Zhang AX, Karanicolas J. Kaiser CE, et al. Among authors: karanicolas j. ACS Synth Biol. 2018 Apr 20;7(4):1152-1162. doi: 10.1021/acssynbio.8b00124. Epub 2018 Apr 9. ACS Synth Biol. 2018. PMID: 29609459 Free PMC article.

9

Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein Interactions.

Bazzoli A, Kelow SP, Karanicolas J. Bazzoli A, et al. Among authors: karanicolas j. PLoS One. 2015 Oct 20;10(10):e0140359. doi: 10.1371/journal.pone.0140359. eCollection 2015. PLoS One. 2015. PMID: 26484863 Free PMC article.

10

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

Bazzoli A, Karanicolas J. Bazzoli A, et al. Among authors: karanicolas j. J Comput Chem. 2017 Jun 15;38(16):1321-1331. doi: 10.1002/jcc.24740. Epub 2017 Mar 20. J Comput Chem. 2017. PMID: 28318014 Free PMC article.

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