P41 RR008605-165461/RR/NCRR NIH HHS/United States[Grants and Funding] - Search Results

1

Large conformational changes in proteins: signaling and other functions.

Grant BJ, Gorfe AA, McCammon JA. Grant BJ, et al. Curr Opin Struct Biol. 2010 Apr;20(2):142-7. doi: 10.1016/j.sbi.2009.12.004. Epub 2010 Jan 8. Curr Opin Struct Biol. 2010. PMID: 20060708 Free PMC article. Review.

2

Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.

Ivetac A, McCammon JA. Ivetac A, et al. Chem Biol Drug Des. 2010 Sep 1;76(3):201-17. doi: 10.1111/j.1747-0285.2010.01012.x. Epub 2010 Jul 5. Chem Biol Drug Des. 2010. PMID: 20626410 Free PMC article.

3

Browndye: A Software Package for Brownian Dynamics.

Huber GA, McCammon JA. Huber GA, et al. Comput Phys Commun. 2010 Nov 1;181(11):1896-1905. doi: 10.1016/j.cpc.2010.07.022. Comput Phys Commun. 2010. PMID: 21132109 Free PMC article.

4

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. J Mol Recognit. 2010 Mar-Apr;23(2):173-82. doi: 10.1002/jmr.989. J Mol Recognit. 2010. PMID: 19882751 Free PMC article.

5

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

Durrant JD, McCammon JA. Durrant JD, et al. 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.

6

AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems.

Lu B, Cheng X, Huang J, McCammon JA. Lu B, et al. Comput Phys Commun. 2010 Jun 1;181(6):1150-1160. doi: 10.1016/j.cpc.2010.02.015. Comput Phys Commun. 2010. PMID: 20532187 Free PMC article.

7

Role of secondary sialic acid binding sites in influenza N1 neuraminidase.

Sung JC, Van Wynsberghe AW, Amaro RE, Li WW, McCammon JA. Sung JC, et al. J Am Chem Soc. 2010 Mar 10;132(9):2883-5. doi: 10.1021/ja9073672. J Am Chem Soc. 2010. PMID: 20155919 Free PMC article.

8

Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy.

Lawrenz M, Wereszczynski J, Amaro R, Walker R, Roitberg A, McCammon JA. Lawrenz M, et al. Proteins. 2010 Aug 15;78(11):2523-32. doi: 10.1002/prot.22761. Proteins. 2010. PMID: 20602360 Free PMC article.

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