McCammon JA - Search Results

1

G-protein coupled receptors: advances in simulation and drug discovery.

Miao Y, McCammon JA. Miao Y, et al. Among authors: mccammon ja. Curr Opin Struct Biol. 2016 Dec;41:83-89. doi: 10.1016/j.sbi.2016.06.008. Epub 2016 Jun 22. Curr Opin Struct Biol. 2016. PMID: 27344006 Free PMC article. Review.

2

Computer simulation of protein-protein association kinetics: acetylcholinesterase-fasciculin.

Elcock AH, Gabdoulline RR, Wade RC, McCammon JA. Elcock AH, et al. Among authors: mccammon ja. J Mol Biol. 1999 Aug 6;291(1):149-62. doi: 10.1006/jmbi.1999.2919. J Mol Biol. 1999. PMID: 10438612

3

Protein flexibility and computer-aided drug design.

Wong CF, McCammon JA. Wong CF, et al. Among authors: mccammon ja. Annu Rev Pharmacol Toxicol. 2003;43:31-45. doi: 10.1146/annurev.pharmtox.43.100901.140216. Epub 2002 Jan 10. Annu Rev Pharmacol Toxicol. 2003. PMID: 12142469 Review.

4

Release of ADP from the catalytic subunit of protein kinase A: a molecular dynamics simulation study.

Lu B, Wong CF, McCammon JA. Lu B, et al. Among authors: mccammon ja. Protein Sci. 2005 Jan;14(1):159-68. doi: 10.1110/ps.04894605. Protein Sci. 2005. PMID: 15608120 Free PMC article.

5

Target flexibility in molecular recognition.

McCammon JA. McCammon JA. Biochim Biophys Acta. 2005 Dec 30;1754(1-2):221-4. doi: 10.1016/j.bbapap.2005.07.041. Epub 2005 Sep 12. Biochim Biophys Acta. 2005. PMID: 16181817 Review.

6

Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors.

Cheng X, Wang H, Grant B, Sine SM, McCammon JA. Cheng X, et al. Among authors: mccammon ja. PLoS Comput Biol. 2006 Sep 29;2(9):e134. doi: 10.1371/journal.pcbi.0020134. Epub 2006 Aug 23. PLoS Comput Biol. 2006. PMID: 17009865 Free PMC article.

7

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.

8

Molecular dynamics simulations of metalloproteinases types 2 and 3 reveal differences in the dynamic behavior of the S1' binding pocket.

de Oliveira CA, Zissen M, Mongon J, McCammon JA. de Oliveira CA, et al. Among authors: mccammon ja. Curr Pharm Des. 2007;13(34):3471-5. doi: 10.2174/138161207782794211. Curr Pharm Des. 2007. PMID: 18220784

9

Three-dimensional geometric modeling of membrane-bound organelles in ventricular myocytes: bridging the gap between microscopic imaging and mathematical simulation.

Yu Z, Holst MJ, Hayashi T, Bajaj CL, Ellisman MH, McCammon JA, Hoshijima M. Yu Z, et al. Among authors: mccammon ja. J Struct Biol. 2008 Dec;164(3):304-13. doi: 10.1016/j.jsb.2008.09.004. Epub 2008 Sep 19. J Struct Biol. 2008. PMID: 18835449 Free PMC article.

10

A virtual screening study of the acetylcholine binding protein using a relaxed-complex approach.

Babakhani A, Talley TT, Taylor P, McCammon JA. Babakhani A, et al. Among authors: mccammon ja. Comput Biol Chem. 2009 Apr;33(2):160-70. doi: 10.1016/j.compbiolchem.2008.12.002. Epub 2009 Jan 8. Comput Biol Chem. 2009. PMID: 19186108 Free PMC article.

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