Structure based computational assessment of channel properties of assembled ORF-8a from SARS-CoV

Ion-dynamics in hepatitis C virus p7 helical transmembrane domains — a molecular dynamics simulation study

(2014) Yi-Ting Wang et al.   BIOPHYSICAL CHEMISTRY

Ion Permeation in the NanC Porin from Escherichia coli: Free Energy Calculations along Pathways Identified by Coarse-Grain Simulations

(2013) Jens Dreyer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Detailed Examination of a Single Conduction Event in a Potassium Channel

(2013) Philip W. Fowler et al.   Journal of Physical Chemistry Letters

Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel

(2013) M. B. Ulmschneider et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The pore of voltage-gated potassium ion channels is strained when closed

(2013) Philip W. Fowler et al.   Nature Communications

Reconstructing Potentials of Mean Force from Short Steered Molecular Dynamics Simulations of Vpu from HIV-1

(2012) George Patargias et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

PNP Equations with Steric Effects: A Model of Ion Flow through Channels

(2012) Tzyy-Leng Horng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Viroporins: structure and biological functions

(2012) José Luis Nieva et al.   NATURE REVIEWS MICROBIOLOGY

The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels

(2012) Danielle E. Chandler et al.   PLoS Computational Biology

Computational Electrophysiology: The Molecular Dynamics of Ion Channel Permeation and Selectivity in Atomistic Detail

(2011) Carsten Kutzner et al.   BIOPHYSICAL JOURNAL

Analysis of lipid surface area in protein-membrane systems combining voronoi tessellation and monte carlo integration methods

(2011) Takaharu Mori et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

In silico investigations of possible routes of assembly of ORF 3a from SARS-CoV

(2011) Hao-Jen Hsu et al.   JOURNAL OF MOLECULAR MODELING

ORF8a of SARS-CoV forms an ion channel: Experiments and molecular dynamics simulations

(2010) Cheng-Chang Chen et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Viral proteins function as ion channels

(2010) Kai Wang et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Molecular simulations of ion channels: a quantum chemist’s perspective

(2010) Denis Bucher et al.   JOURNAL OF GENERAL PHYSIOLOGY

Protein-Induced Membrane Curvature Investigated through Molecular Dynamics Flexible Fitting

(2009) Jen Hsin et al.   BIOPHYSICAL JOURNAL

Structural implications of mutations assessed by molecular dynamics: Vpu1–32 from HIV-1

(2009) J. Krüger et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Assembly of Viral Membrane Proteins

(2009) J. Krüger et al.   Journal of Chemical Theory and Computation

Helix−Helix Interactions in Membrane Proteins: Coarse-Grained Simulations of Glycophorin A Helix Dimerization†

(2008) Emi Psachoulia et al.   BIOCHEMISTRY

Exploring the conformational space of Vpu from HIV-1: A versatile adaptable protein

(2008) Jens Krüger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure of a potentially open state of a proton-activated pentameric ligand-gated ion channel

(2008) Ricarda J. C. Hilf et al.   NATURE

Mechanism of selectivity in aquaporins and aquaglyceroporins

(2008) J. S. Hub et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA