Structure-guided simulations illuminate the mechanism of ATP transport through VDAC1

Nucleotide Interactions of the Human Voltage-dependent Anion Channel

(2014) Saskia Villinger et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

ATP Transport through VDAC and the VDAC–Tubulin Complex Probed by Equilibrium and Nonequilibrium MD Simulations

(2013) Sergei Yu. Noskov et al.   BIOCHEMISTRY

Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations

(2013) Joseph E. Basconi et al.   Journal of Chemical Theory and Computation

Derivation of Fixed Partial Charges for Amino Acids Accommodating a Specific Water Model and Implicit Polarization

(2013) David S. Cerutti et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Voltage-Dependent Anion Selective Channel 1 (VDAC1) Topography in the Mitochondrial Outer Membrane as Detected in Intact Cell

(2013) Marianna F. Tomasello et al.   PLoS One

Coupling of ryanodine receptor 2 and voltage-dependent anion channel 2 is essential for Ca2+transfer from the sarcoplasmic reticulum to the mitochondria in the heart

(2012) Choon Kee Min et al.   BIOCHEMICAL JOURNAL

VDAC structure, selectivity, and dynamics

(2012) Marco Colombini   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Mechanism of Voltage Gating in Potassium Channels

(2012) M. O. Jensen et al.   SCIENCE

VDAC isoforms in mammals

(2011) Angela Messina et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Constant electric field simulations of the membrane potential illustrated with simple systems

(2011) James Gumbart et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Molecular Dynamics Studies of Ion Permeation in VDAC

(2011) Huan Rui et al.   BIOPHYSICAL JOURNAL

MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale

(2011) Kyle A. Beauchamp et al.   Journal of Chemical Theory and Computation

Phosphorylation of Voltage-Dependent Anion Channel by Serine/Threonine Kinases Governs Its Interaction with Tubulin

(2011) Kely L. Sheldon et al.   PLoS One

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

PINK1/Parkin-mediated mitophagy is dependent on VDAC1 and p62/SQSTM1

(2010) Sven Geisler et al.   NATURE CELL BIOLOGY

The 3D structures of VDAC represent a native conformation

(2010) Sebastian Hiller et al.   TRENDS IN BIOCHEMICAL SCIENCES

Reactive flux and folding pathways in network models of coarse-grained protein dynamics

(2009) Alexander Berezhkovskii et al.   JOURNAL OF CHEMICAL PHYSICS

The Electrostatics of VDAC: Implications for Selectivity and Gating

(2009) Om P. Choudhary et al.   JOURNAL OF MOLECULAR BIOLOGY

Transition Path Theory for Markov Jump Processes

(2009) Philipp Metzner et al.   MULTISCALE MODELING & SIMULATION

Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations

(2009) Frank Noé et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The published 3D structure of the VDAC channel: native or not?

(2009) Marco Colombini   TRENDS IN BIOCHEMICAL SCIENCES

Anton, a special-purpose machine for molecular dynamics simulation

(2008) David E. Shaw et al.   COMMUNICATIONS OF THE ACM

Tubulin binding blocks mitochondrial voltage-dependent anion channel and regulates respiration

(2008) T. K. Rostovtseva et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of the human voltage-dependent anion channel

(2008) M. Bayrhuber et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating

(2008) R. Ujwal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Opening and closing the metabolite gate

(2008) S. Tornroth-Horsefield et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Solution Structure of the Integral Human Membrane Protein VDAC-1 in Detergent Micelles

(2008) S. Hiller et al.   SCIENCE