Roux B - Search Results

1

CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations.

Qi Y, Lee J, Cheng X, Shen R, Islam SM, Roux B, Im W. Qi Y, et al. Among authors: roux b. J Comput Chem. 2020 Feb 15;41(5):415-420. doi: 10.1002/jcc.26032. Epub 2019 Jul 22. J Comput Chem. 2020. PMID: 31329318

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

Ion channels, permeation, and electrostatics: insight into the function of KcsA.

Roux B, Bernèche S, Im W. Roux B, et al. Biochemistry. 2000 Nov 7;39(44):13295-306. doi: 10.1021/bi001567v. Biochemistry. 2000. PMID: 11063565 Review. No abstract available.

4

Imaging the electrostatic potential of transmembrane channels: atomic probe microscopy of OmpF porin.

Philippsen A, Im W, Engel A, Schirmer T, Roux B, Müller DJ. Philippsen A, et al. Among authors: roux b. Biophys J. 2002 Mar;82(3):1667-76. doi: 10.1016/S0006-3495(02)75517-3. Biophys J. 2002. PMID: 11867478 Free PMC article.

5

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

6

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

7

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.

8

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

9

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.

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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