Karanicolas J - Search Results

1

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.

2

Druggable protein interaction sites are more predisposed to surface pocket formation than the rest of the protein surface.

Johnson DK, Karanicolas J. Johnson DK, et al. Among authors: karanicolas j. PLoS Comput Biol. 2013;9(3):e1002951. doi: 10.1371/journal.pcbi.1002951. Epub 2013 Mar 7. PLoS Comput Biol. 2013. PMID: 23505360 Free PMC article.

3

Structural properties of non-traditional drug targets present new challenges for virtual screening.

Gowthaman R, Deeds EJ, Karanicolas J. Gowthaman R, et al. Among authors: karanicolas j. J Chem Inf Model. 2013 Aug 26;53(8):2073-81. doi: 10.1021/ci4002316. Epub 2013 Aug 13. J Chem Inf Model. 2013. PMID: 23879197 Free PMC article.

4

Fast docking on graphics processing units via Ray-Casting.

Khar KR, Goldschmidt L, Karanicolas J. Khar KR, et al. Among authors: karanicolas j. PLoS One. 2013 Aug 16;8(8):e70661. doi: 10.1371/journal.pone.0070661. eCollection 2013. PLoS One. 2013. PMID: 23976948 Free PMC article.

5

The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.

Xia Y, DiPrimio N, Keppel TR, Vo B, Fraser K, Battaile KP, Egan C, Bystroff C, Lovell S, Weis DD, Anderson JC, Karanicolas J. Xia Y, et al. Among authors: karanicolas j. J Am Chem Soc. 2013 Dec 18;135(50):18840-9. doi: 10.1021/ja407644b. Epub 2013 Dec 6. J Am Chem Soc. 2013. PMID: 24313858 Free PMC article.

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

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.

8

DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites.

Gowthaman R, Lyskov S, Karanicolas J. Gowthaman R, et al. Among authors: karanicolas j. PLoS One. 2015 Jul 16;10(7):e0131612. doi: 10.1371/journal.pone.0131612. eCollection 2015. PLoS One. 2015. PMID: 26181386 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

The fungal natural product azaphilone-9 binds to HuR and inhibits HuR-RNA interaction in vitro.

Kaur K, Wu X, Fields JK, Johnson DK, Lan L, Pratt M, Somoza AD, Wang CCC, Karanicolas J, Oakley BR, Xu L, De Guzman RN. Kaur K, et al. Among authors: karanicolas j. PLoS One. 2017 Apr 17;12(4):e0175471. doi: 10.1371/journal.pone.0175471. eCollection 2017. PLoS One. 2017. PMID: 28414767 Free PMC article.

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