McCammon JA - Search Results

1

Multi-core CPU or GPU-accelerated Multiscale Modeling for Biomolecular Complexes.

Liao T, Zhang Y, Kekenes-Huskey PM, Cheng Y, Michailova A, McCulloch AD, Holst M, McCammon JA. Liao T, et al. Among authors: mccammon ja. Mol Based Math Biol. 2013 Jul;1:10.2478/mlbmb-2013-0009. doi: 10.2478/mlbmb-2013-0009. Mol Based Math Biol. 2013. PMID: 24352481 Free PMC article.

2

Self-organizing neural networks bridge the biomolecular resolution gap.

Wriggers W, Milligan RA, Schulten K, McCammon JA. Wriggers W, et al. Among authors: mccammon ja. J Mol Biol. 1998 Dec 18;284(5):1247-54. doi: 10.1006/jmbi.1998.2232. J Mol Biol. 1998. PMID: 9878345 Review.

3

Electrostatics of nanosystems: application to microtubules and the ribosome.

Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Baker NA, et al. Among authors: mccammon ja. Proc Natl Acad Sci U S A. 2001 Aug 28;98(18):10037-41. doi: 10.1073/pnas.181342398. Epub 2001 Aug 21. Proc Natl Acad Sci U S A. 2001. PMID: 11517324 Free PMC article.

4

Finite element simulations of acetylcholine diffusion in neuromuscular junctions.

Tai K, Bond SD, MacMillan HR, Baker NA, Holst MJ, McCammon JA. Tai K, et al. Among authors: mccammon ja. Biophys J. 2003 Apr;84(4):2234-41. doi: 10.1016/S0006-3495(03)75029-2. Biophys J. 2003. PMID: 12668432 Free PMC article.

5

Tetrameric mouse acetylcholinesterase: continuum diffusion rate calculations by solving the steady-state Smoluchowski equation using finite element methods.

Zhang D, Suen J, Zhang Y, Song Y, Radic Z, Taylor P, Holst MJ, Bajaj C, Baker NA, McCammon JA. Zhang D, et al. Among authors: mccammon ja. Biophys J. 2005 Mar;88(3):1659-65. doi: 10.1529/biophysj.104.053850. Epub 2004 Dec 30. Biophys J. 2005. PMID: 15626705 Free PMC article.

6

How does the cAMP-dependent protein kinase catalyze the phosphorylation reaction: an ab initio QM/MM study.

Cheng Y, Zhang Y, McCammon JA. Cheng Y, et al. Among authors: mccammon ja. J Am Chem Soc. 2005 Feb 9;127(5):1553-62. doi: 10.1021/ja0464084. J Am Chem Soc. 2005. PMID: 15686389

7

How does activation loop phosphorylation modulate catalytic activity in the cAMP-dependent protein kinase: a theoretical study.

Cheng Y, Zhang Y, McCammon JA. Cheng Y, et al. Among authors: mccammon ja. Protein Sci. 2006 Apr;15(4):672-83. doi: 10.1110/ps.051852306. Epub 2006 Mar 7. Protein Sci. 2006. PMID: 16522793 Free PMC article.

8

In-situ synthesis of a tacrine-triazole-based inhibitor of acetylcholinesterase: configurational selection imposed by steric interactions.

Senapati S, Cheng Y, McCammon JA. Senapati S, et al. Among authors: mccammon ja. J Med Chem. 2006 Oct 19;49(21):6222-30. doi: 10.1021/jm051132b. J Med Chem. 2006. PMID: 17034128

9

Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models.

Cheng Y, Suen JK, Radić Z, Bond SD, Holst MJ, McCammon JA. Cheng Y, et al. Among authors: mccammon ja. Biophys Chem. 2007 May;127(3):129-39. doi: 10.1016/j.bpc.2007.01.003. Epub 2007 Jan 19. Biophys Chem. 2007. PMID: 17307283 Free PMC article.

10

Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations.

Cheng Y, Suen JK, Zhang D, Bond SD, Zhang Y, Song Y, Baker NA, Bajaj CL, Holst MJ, McCammon JA. Cheng Y, et al. Among authors: mccammon ja. Biophys J. 2007 May 15;92(10):3397-406. doi: 10.1529/biophysj.106.102533. Epub 2007 Feb 16. Biophys J. 2007. PMID: 17307827 Free PMC article.

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