GM31749/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
1986	1
1997	2
1999	3
2000	1
2004	1
2005	1
2006	6
2007	5
2008	9
2009	11
2010	9
2011	11
2012	7
2013	12
2014	13
2015	7
2016	3
2024	0

1

Computation of pH-dependent binding free energies.

Kim MO, McCammon JA. Kim MO, et al. Biopolymers. 2016 Jan;105(1):43-9. doi: 10.1002/bip.22702. Biopolymers. 2016. PMID: 26202905 Free PMC article. Review.

2

Molecular dynamics simulations and drug discovery.

Durrant JD, McCammon JA. Durrant JD, et al. BMC Biol. 2011 Oct 28;9:71. doi: 10.1186/1741-7007-9-71. BMC Biol. 2011. PMID: 22035460 Free PMC article. Review.

3

Accelerated molecular dynamics simulations of protein folding.

Miao Y, Feixas F, Eun C, McCammon JA. Miao Y, et al. J Comput Chem. 2015 Jul 30;36(20):1536-49. doi: 10.1002/jcc.23964. Epub 2015 Jun 12. J Comput Chem. 2015. PMID: 26096263 Free PMC article.

4

Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics.

Miao Y, Nichols SE, McCammon JA. Miao Y, et al. Phys Chem Chem Phys. 2014 Apr 14;16(14):6398-406. doi: 10.1039/c3cp53962h. Epub 2014 Jan 21. Phys Chem Chem Phys. 2014. PMID: 24445284 Free PMC article.

5

AutoClickChem: click chemistry in silico.

Durrant JD, McCammon JA. Durrant JD, et al. PLoS Comput Biol. 2012;8(3):e1002397. doi: 10.1371/journal.pcbi.1002397. Epub 2012 Mar 15. PLoS Comput Biol. 2012. PMID: 22438795 Free PMC article.

6

Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor.

Kappel K, Miao Y, McCammon JA. Kappel K, et al. Q Rev Biophys. 2015 Nov;48(4):479-87. doi: 10.1017/S0033583515000153. Q Rev Biophys. 2015. PMID: 26537408 Free PMC article. Review.

7

Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads.

Sinko W, Wang Y, Zhu W, Zhang Y, Feixas F, Cox CL, Mitchell DA, Oldfield E, McCammon JA. Sinko W, et al. J Med Chem. 2014 Jul 10;57(13):5693-701. doi: 10.1021/jm5004649. Epub 2014 Jun 24. J Med Chem. 2014. PMID: 24827744 Free PMC article.

8

Antibacterial drug leads targeting isoprenoid biosynthesis.

Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E. Zhu W, et al. Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. Epub 2012 Dec 17. Proc Natl Acad Sci U S A. 2013. PMID: 23248302 Free PMC article.

9

Characterizing loop dynamics and ligand recognition in human- and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations.

Amaro RE, Cheng X, Ivanov I, Xu D, McCammon JA. Amaro RE, et al. J Am Chem Soc. 2009 Apr 8;131(13):4702-9. doi: 10.1021/ja8085643. J Am Chem Soc. 2009. PMID: 19296611 Free PMC article.

10

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

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