All atom NMDA receptor transmembrane domain model development and simulations in lipid bilayers and water

NMDA receptors: linking physiological output to biophysical operation

(2017) Gary J. Iacobucci et al.   NATURE REVIEWS NEUROSCIENCE

Mechanism of NMDA Receptor Inhibition and Activation

(2016) Shujia Zhu et al.   CELL

Activation of NMDA receptors and the mechanism of inhibition by ifenprodil

(2016) Nami Tajima et al.   NATURE

The coming of age of de novo protein design

(2016) Po-Ssu Huang et al.   NATURE

Protein structure refinement via molecular-dynamics simulations: What works and what does not?

(2015) Michael Feig et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

NMDA receptor structures reveal subunit arrangement and pore architecture

(2014) Chia-Hsueh Lee et al.   NATURE

Crystal structure of a heterotetrameric NMDA receptor ion channel

(2014) E. Karakas et al.   SCIENCE

Modelling three-dimensional protein structures for applications in drug design

(2013) Tobias Schmidt et al.   DRUG DISCOVERY TODAY

Activities at the Universal Protein Resource (UniProt)

(2013)   NUCLEIC ACIDS RESEARCH

Protein Modeling: What Happened to the “Protein Structure Gap”?

(2013) Torsten Schwede   STRUCTURE

Protein Structure Refinement through Structure Selection and Averaging from Molecular Dynamics Ensembles

(2012) Vahid Mirjalili et al.   Journal of Chemical Theory and Computation

Probing the activation sequence of NMDA receptors with lurcher mutations

(2012) Swetha E. Murthy et al.   JOURNAL OF GENERAL PHYSIOLOGY

A single GluN2 subunit residue controls NMDA receptor channel properties via intersubunit interaction

(2012) Beth Siegler Retchless et al.   NATURE NEUROSCIENCE

The Protein-Folding Problem, 50 Years On

(2012) K. A. Dill et al.   SCIENCE

An overview of the Amber biomolecular simulation package

(2012) Romelia Salomon-Ferrer et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Unusual Metal Ion Selectivities of the Highly Preorganized Tetradentrate Ligand 1,10-Phenanthroline-2,9-dicarboxamide: A Thermodynamic and Fluorescence Study

(2011) Danielle Merrill et al.   INORGANIC CHEMISTRY

How Fast-Folding Proteins Fold

(2011) K. Lindorff-Larsen et al.   SCIENCE

GPU-accelerated molecular modeling coming of age

(2010) John E. Stone et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Glutamate Receptor Ion Channels: Structure, Regulation, and Function

(2010) S. F. Traynelis et al.   PHARMACOLOGICAL REVIEWS

Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins

(2009) Andreas Kukol   Journal of Chemical Theory and Computation

X-ray structure, symmetry and mechanism of an AMPA-subtype glutamate receptor

(2009) Alexander I. Sobolevsky et al.   NATURE

Sub-angstrom accuracy in protein loop reconstruction by robotics-inspired conformational sampling

(2009) Daniel J Mandell et al.   NATURE METHODS

Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination

(2008) Ivan Dokmanić et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

NMDA receptors in clinical neurology: excitatory times ahead

(2008) Lorraine V Kalia et al.   LANCET NEUROLOGY

The NR1 M3 Domain Mediates Allosteric Coupling in the N-Methyl-D-aspartate Receptor

(2008) M. L. Blanke et al.   MOLECULAR PHARMACOLOGY

High-resolution structure of the open NaK channel

(2008) Amer Alam et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY