McCammon JA - Search Results

1

Molecular mimicry and ligand recognition in binding and catalysis by the histone demethylase LSD1-CoREST complex.

Baron R, Binda C, Tortorici M, McCammon JA, Mattevi A. Baron R, et al. Among authors: mccammon ja. Structure. 2011 Feb 9;19(2):212-20. doi: 10.1016/j.str.2011.01.001. Structure. 2011. PMID: 21300290 Free PMC article.

2

Brownian and essential dynamics studies of the HIV-1 integrase catalytic domain.

Weber W, Demirdjian H, Lins RD, Briggs JM, Ferreira R, McCammon JA. Weber W, et al. Among authors: mccammon ja. J Biomol Struct Dyn. 1998 Dec;16(3):733-45. doi: 10.1080/07391102.1998.10508285. J Biomol Struct Dyn. 1998. PMID: 10052629

3

Molecular dynamics of acetylcholinesterase.

Shen T, Tai K, Henchman RH, McCammon JA. Shen T, et al. Among authors: mccammon ja. Acc Chem Res. 2002 Jun;35(6):332-40. doi: 10.1021/ar010025i. Acc Chem Res. 2002. PMID: 12069617 Review.

4

Dynamic binding of PKA regulatory subunit RI alpha.

Gullingsrud J, Kim C, Taylor SS, McCammon JA. Gullingsrud J, et al. Among authors: mccammon ja. Structure. 2006 Jan;14(1):141-9. doi: 10.1016/j.str.2005.09.019. Structure. 2006. PMID: 16407073 Free article.

5

SR protein kinase 1 is resilient to inactivation.

Ngo JC, Gullingsrud J, Giang K, Yeh MJ, Fu XD, Adams JA, McCammon JA, Ghosh G. Ngo JC, et al. Among authors: mccammon ja. Structure. 2007 Jan;15(1):123-33. doi: 10.1016/j.str.2006.11.011. Structure. 2007. PMID: 17223538 Free article.

6

Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulations.

Baron R, McCammon JA. Baron R, et al. Among authors: mccammon ja. Biochemistry. 2007 Sep 18;46(37):10629-42. doi: 10.1021/bi700866x. Epub 2007 Aug 24. Biochemistry. 2007. PMID: 17718514

7

Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei.

Amaro RE, Swift RV, McCammon JA. Amaro RE, et al. Among authors: mccammon ja. PLoS Negl Trop Dis. 2007 Nov 14;1(2):e68. doi: 10.1371/journal.pntd.0000068. PLoS Negl Trop Dis. 2007. PMID: 18060084 Free PMC article.

8

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design.

Amaro RE, Baron R, McCammon JA. Amaro RE, et al. Among authors: mccammon ja. J Comput Aided Mol Des. 2008 Sep;22(9):693-705. doi: 10.1007/s10822-007-9159-2. Epub 2008 Jan 15. J Comput Aided Mol Des. 2008. PMID: 18196463 Free PMC article.

9

Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.

Landon MR, Amaro RE, Baron R, Ngan CH, Ozonoff D, McCammon JA, Vajda S. Landon MR, et al. Among authors: mccammon ja. Chem Biol Drug Des. 2008 Feb;71(2):106-16. doi: 10.1111/j.1747-0285.2007.00614.x. Epub 2008 Jan 17. Chem Biol Drug Des. 2008. PMID: 18205727 Free PMC article.

10

(Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding.

Baron R, McCammon JA. Baron R, et al. Among authors: mccammon ja. Chemphyschem. 2008 May 16;9(7):983-8. doi: 10.1002/cphc.200700857. Chemphyschem. 2008. PMID: 18418822

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