McCammon JA - Search Results

1

Computational identification of uncharacterized cruzain binding sites.

Durrant JD, Keränen H, Wilson BA, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. PLoS Negl Trop Dis. 2010 May 11;4(5):e676. doi: 10.1371/journal.pntd.0000676. PLoS Negl Trop Dis. 2010. PMID: 20485483 Free PMC article.

2

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.

3

Toward understanding the conformational dynamics of RNA ligation.

Swift RV, Durrant J, Amaro RE, McCammon JA. Swift RV, et al. Among authors: mccammon ja. Biochemistry. 2009 Feb 3;48(4):709-19. doi: 10.1021/bi8018114. Biochemistry. 2009. PMID: 19133737 Free PMC article.

4

AutoGrow: a novel algorithm for protein inhibitor design.

Durrant JD, Amaro RE, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. Chem Biol Drug Des. 2009 Feb;73(2):168-78. doi: 10.1111/j.1747-0285.2008.00761.x. Chem Biol Drug Des. 2009. PMID: 19207419 Free PMC article.

5

Including receptor flexibility and induced fit effects into the design of MMP-2 inhibitors.

Durrant JD, de Oliveira CA, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. J Mol Recognit. 2010 Mar-Apr;23(2):173-82. doi: 10.1002/jmr.989. J Mol Recognit. 2010. PMID: 19882751 Free PMC article.

6

A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology.

Durrant JD, Amaro RE, Xie L, Urbaniak MD, Ferguson MA, Haapalainen A, Chen Z, Di Guilmi AM, Wunder F, Bourne PE, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. PLoS Comput Biol. 2010 Jan 22;6(1):e1000648. doi: 10.1371/journal.pcbi.1000648. PLoS Comput Biol. 2010. PMID: 20098496 Free PMC article.

7

Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design.

Durrant JD, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. Comput Biol Chem. 2010 Apr;34(2):97-105. doi: 10.1016/j.compbiolchem.2010.03.005. Epub 2010 Apr 3. Comput Biol Chem. 2010. PMID: 20427241 Free PMC article.

8

Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness.

Durrant JD, Urbaniak MD, Ferguson MA, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. J Med Chem. 2010 Jul 8;53(13):5025-32. doi: 10.1021/jm100456a. J Med Chem. 2010. PMID: 20527952 Free PMC article.

9

NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes.

Durrant JD, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. J Chem Inf Model. 2010 Oct 25;50(10):1865-71. doi: 10.1021/ci100244v. J Chem Inf Model. 2010. PMID: 20845954 Free PMC article.

10

Computer-aided drug-discovery techniques that account for receptor flexibility.

Durrant JD, McCammon JA. Durrant JD, et al. Among authors: mccammon ja. Curr Opin Pharmacol. 2010 Dec;10(6):770-4. doi: 10.1016/j.coph.2010.09.001. Epub 2010 Sep 29. Curr Opin Pharmacol. 2010. PMID: 20888294 Free PMC article. Review.

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