Comer J - Search Results

1

Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.

Lee CT, Comer J, Herndon C, Leung N, Pavlova A, Swift RV, Tung C, Rowley CN, Amaro RE, Chipot C, Wang Y, Gumbart JC. Lee CT, et al. Among authors: comer j. J Chem Inf Model. 2016 Apr 25;56(4):721-33. doi: 10.1021/acs.jcim.6b00022. Epub 2016 Apr 14. J Chem Inf Model. 2016. PMID: 27043429 Free PMC article.

2

Dangerous liaisons between detergents and membrane proteins. The case of mitochondrial uncoupling protein 2.

Zoonens M, Comer J, Masscheleyn S, Pebay-Peyroula E, Chipot C, Miroux B, Dehez F. Zoonens M, et al. Among authors: comer j. J Am Chem Soc. 2013 Oct 9;135(40):15174-82. doi: 10.1021/ja407424v. Epub 2013 Sep 26. J Am Chem Soc. 2013. PMID: 24021091

3

The adaptive biasing force method: everything you always wanted to know but were afraid to ask.

Comer J, Gumbart JC, Hénin J, Lelièvre T, Pohorille A, Chipot C. Comer J, et al. J Phys Chem B. 2015 Jan 22;119(3):1129-51. doi: 10.1021/jp506633n. Epub 2014 Oct 7. J Phys Chem B. 2015. PMID: 25247823 Free PMC article.

4

Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes.

Fu H, Comer J, Cai W, Chipot C. Fu H, et al. Among authors: comer j. J Phys Chem Lett. 2015 Feb 5;6(3):413-8. doi: 10.1021/jz502513w. Epub 2015 Jan 16. J Phys Chem Lett. 2015. PMID: 26261957

5

Calculation of Lipid-Bilayer Permeabilities Using an Average Force.

Comer J, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2014 Feb 11;10(2):554-64. doi: 10.1021/ct400925s. J Chem Theory Comput. 2014. PMID: 26580032

6

Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules.

Comer J, Phillips JC, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5276-85. doi: 10.1021/ct500874p. Epub 2014 Nov 26. J Chem Theory Comput. 2014. PMID: 26583211

7

Diffusive Models of Membrane Permeation with Explicit Orientational Freedom.

Comer J, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2014 Jul 8;10(7):2710-8. doi: 10.1021/ct500209j. J Chem Theory Comput. 2014. PMID: 26586505

8

Calculating Position-Dependent Diffusivity in Biased Molecular Dynamics Simulations.

Comer J, Chipot C, González-Nilo FD. Comer J, et al. J Chem Theory Comput. 2013 Feb 12;9(2):876-82. doi: 10.1021/ct300867e. Epub 2013 Jan 18. J Chem Theory Comput. 2013. PMID: 26588731

9

Subdiffusion in Membrane Permeation of Small Molecules.

Chipot C, Comer J. Chipot C, et al. Among authors: comer j. Sci Rep. 2016 Nov 2;6:35913. doi: 10.1038/srep35913. Sci Rep. 2016. PMID: 27805049 Free PMC article.

10

Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles.

Comer J, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2523-2532. doi: 10.1021/acs.jctc.7b00264. Epub 2017 May 12. J Chem Theory Comput. 2017. PMID: 28475319

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