Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger

Asymmetric Preorganization of Inverted Pair Residues in the Sodium-Calcium Exchanger

(2016) Moshe Giladi et al.   Scientific Reports

Atomic-resolution dissection of the energetics and mechanism of isomerization of hydrated ATP-Mg2+through the SOMA string method

(2015) Davide Branduardi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Functional asymmetry of bidirectional Ca2+-movements in an archaeal sodium–calcium exchanger (NCX_Mj)

(2014) Lior Almagor et al.   CELL CALCIUM

Sodium recognition by the Na+/Ca2+exchanger in the outward-facing conformation

(2014) Fabrizio Marinelli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural basis for alternating access of a eukaryotic calcium/proton exchanger

(2013) Andrew B. Waight et al.   NATURE

Two-state dynamics of the SH3–SH2 tandem of Abl kinase and the allosteric role of the N-cap

(2013) Carles Corbi-Verge et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation

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

The cardiac Na+-Ca2+ exchanger has two cytoplasmic ion permeation pathways

(2013) S. A. John et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural Basis for the Counter-Transport Mechanism of a H+/Ca2+ Exchanger

(2013) T. Nishizawa et al.   SCIENCE

Metadynamics with Adaptive Gaussians

(2012) Davide Branduardi et al.   Journal of Chemical Theory and Computation

Structural Insight into the Ion-Exchange Mechanism of the Sodium/Calcium Exchanger

(2012) J. Liao et al.   SCIENCE

METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations

(2011) Xevi Biarnés et al.   COMPUTER PHYSICS COMMUNICATIONS

GRIFFIN: A Versatile Methodology for Optimization of Protein−Lipid Interfaces for Membrane Protein Simulations

(2011) René Staritzbichler et al.   Journal of Chemical Theory and Computation

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

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

Transmembrane Segment Packing of the Na+/Ca2+Exchanger Investigated with Chemical Cross-Linkers

(2010) Xiaoyan Ren et al.   BIOCHEMISTRY

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

Crystallizing membrane proteins using lipidic mesophases

(2009) Martin Caffrey et al.   Nature Protocols

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

(2009) Fabrizio Marinelli et al.   PLoS Computational Biology

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation