Roux B - Search Results

1

CHARMM-GUI 10 years for biomolecular modeling and simulation.

Jo S, Cheng X, Lee J, Kim S, Park SJ, Patel DS, Beaven AH, Lee KI, Rui H, Park S, Lee HS, Roux B, MacKerell AD Jr, Klauda JB, Qi Y, Im W. Jo S, et al. Among authors: roux b. J Comput Chem. 2017 Jun 5;38(15):1114-1124. doi: 10.1002/jcc.24660. Epub 2016 Nov 14. J Comput Chem. 2017. PMID: 27862047 Free PMC article. Review.

2

A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.

Im W, Seefeld S, Roux B. Im W, et al. Among authors: roux b. Biophys J. 2000 Aug;79(2):788-801. doi: 10.1016/S0006-3495(00)76336-3. Biophys J. 2000. PMID: 10920012 Free PMC article.

3

Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution.

Im W, Roux B. Im W, et al. Among authors: roux b. J Mol Biol. 2002 Jun 21;319(5):1177-97. doi: 10.1016/S0022-2836(02)00380-7. J Mol Biol. 2002. PMID: 12079356

4

Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.

Im W, Roux B. Im W, et al. Among authors: roux b. J Mol Biol. 2002 Sep 27;322(4):851-69. doi: 10.1016/s0022-2836(02)00778-7. J Mol Biol. 2002. PMID: 12270719

5

Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory.

Noskov SY, Im W, Roux B. Noskov SY, et al. Among authors: roux b. Biophys J. 2004 Oct;87(4):2299-309. doi: 10.1529/biophysj.104.044008. Biophys J. 2004. PMID: 15454431 Free PMC article.

6

Optimized atomic radii for protein continuum electrostatics solvation forces.

Nina M, Im W, Roux B. Nina M, et al. Among authors: roux b. Biophys Chem. 1999 Apr 5;78(1-2):89-96. doi: 10.1016/s0301-4622(98)00236-1. Biophys Chem. 1999. PMID: 17030305

7

Polarizable empirical force field for aromatic compounds based on the classical drude oscillator.

Lopes PE, Lamoureux G, Roux B, Mackerell AD Jr. Lopes PE, et al. Among authors: roux b. J Phys Chem B. 2007 Mar 22;111(11):2873-85. doi: 10.1021/jp0663614. Epub 2007 Feb 27. J Phys Chem B. 2007. PMID: 17388420 Free PMC article.

8

Theoretical and computational models of biological ion channels.

Roux B, Allen T, Bernèche S, Im W. Roux B, et al. Q Rev Biophys. 2004 Feb;37(1):15-103. doi: 10.1017/s0033583504003968. Q Rev Biophys. 2004. PMID: 17390604 Review.

9

Understanding the dielectric properties of liquid amides from a polarizable force field.

Harder E, Anisimov VM, Whitfield T, MacKerell AD Jr, Roux B. Harder E, et al. Among authors: roux b. J Phys Chem B. 2008 Mar 20;112(11):3509-21. doi: 10.1021/jp709729d. Epub 2008 Feb 27. J Phys Chem B. 2008. PMID: 18302362 Free PMC article.

10

PBEQ-Solver for online visualization of electrostatic potential of biomolecules.

Jo S, Vargyas M, Vasko-Szedlar J, Roux B, Im W. Jo S, et al. Among authors: roux b. Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W270-5. doi: 10.1093/nar/gkn314. Epub 2008 May 28. Nucleic Acids Res. 2008. PMID: 18508808 Free PMC article.

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