McCammon JA - Search Results

1

Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.

Zhao Y, Kwan YY, Che J, Li B, McCammon JA. Zhao Y, et al. Among authors: mccammon ja. J Chem Phys. 2013 Jul 14;139(2):024111. doi: 10.1063/1.4812839. J Chem Phys. 2013. PMID: 23862933 Free PMC article.

2

Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study.

Hünenberger PH, McCammon JA. Hünenberger PH, et al. Among authors: mccammon ja. Biophys Chem. 1999 Apr 5;78(1-2):69-88. doi: 10.1016/s0301-4622(99)00007-1. Biophys Chem. 1999. PMID: 10343384

3

Atomistic Brownian dynamics simulation of peptide phosphorylation.

Shen T, Wong CF, McCammon JA. Shen T, et al. Among authors: mccammon ja. J Am Chem Soc. 2001 Sep 19;123(37):9107-11. doi: 10.1021/ja010190t. J Am Chem Soc. 2001. PMID: 11552818

4

Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study.

Zhang Y, Kua J, McCammon JA. Zhang Y, et al. Among authors: mccammon ja. J Am Chem Soc. 2002 Sep 4;124(35):10572-7. doi: 10.1021/ja020243m. J Am Chem Soc. 2002. PMID: 12197759

5

Bridging implicit and explicit solvent approaches for membrane electrostatics.

Lin JH, Baker NA, McCammon JA. Lin JH, et al. Among authors: mccammon ja. Biophys J. 2002 Sep;83(3):1374-9. doi: 10.1016/S0006-3495(02)73908-8. Biophys J. 2002. PMID: 12202363 Free PMC article.

6

Standard free energy of releasing a localized water molecule from the binding pockets of proteins: double-decoupling method.

Hamelberg D, McCammon JA. Hamelberg D, et al. Among authors: mccammon ja. J Am Chem Soc. 2004 Jun 23;126(24):7683-9. doi: 10.1021/ja0377908. J Am Chem Soc. 2004. PMID: 15198616

7

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules.

Hamelberg D, Mongan J, McCammon JA. Hamelberg D, et al. Among authors: mccammon ja. J Chem Phys. 2004 Jun 22;120(24):11919-29. doi: 10.1063/1.1755656. J Chem Phys. 2004. PMID: 15268227

8

Finite concentration effects on diffusion-controlled reactions.

Senapati S, Wong CF, McCammon JA. Senapati S, et al. Among authors: mccammon ja. J Chem Phys. 2004 Oct 22;121(16):7896-900. doi: 10.1063/1.1795132. J Chem Phys. 2004. PMID: 15485251

9

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

10

Computation of electrostatic forces between solvated molecules determined by the Poisson-Boltzmann equation using a boundary element method.

Lu B, Zhang D, McCammon JA. Lu B, et al. Among authors: mccammon ja. J Chem Phys. 2005 Jun 1;122(21):214102. doi: 10.1063/1.1924448. J Chem Phys. 2005. PMID: 15974723

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