NMDA Receptor Opening and Closing—Transitions of a Molecular Machine Revealed by Molecular Dynamics

Towards resolving the presynaptic NMDA receptor debate

(2018) Guy Bouvier et al.   CURRENT OPINION IN NEUROBIOLOGY

Glutamate and Glycine Binding to the NMDA Receptor

(2018) Alvin Yu et al.   STRUCTURE

The LILI Motif of M3-S2 Linkers Is a Component of the NMDA Receptor Channel Gate

(2018) Marek Ladislav et al.   Frontiers in Molecular Neuroscience

Surface Expression, Function, and Pharmacology of Disease-Associated Mutations in the Membrane Domain of the Human GluN2B Subunit

(2018) Vojtech Vyklicky et al.   Frontiers in Molecular Neuroscience

Mechanism of NMDA receptor channel block by MK-801 and memantine

(2018) Xianqiang Song et al.   NATURE

How does binding of agonist ligands control intrinsic molecular dynamics in human NMDA receptors?

(2018) Zoltan Palmai et al.   PLoS One

An inter‐dimer allosteric switch controls NMDA receptor activity

(2018) Jean‐Baptiste Esmenjaud et al.   EMBO JOURNAL

Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors

(2018) Jin-Bao Zhang et al.   Cell Reports

Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core

(2017) Anton V. Sinitskiy et al.   Journal of Chemical Theory and Computation

Structural modeling for the open state of an NMDA receptor

(2017) Xiaodong Pang et al.   JOURNAL OF STRUCTURAL BIOLOGY

Computationally Discovered Potentiating Role of Glycans on NMDA Receptors

(2017) Anton V. Sinitskiy et al.   Scientific Reports

Mechanistic Insight into NMDA Receptor Dysregulation by Rare Variants in the GluN2A and GluN2B Agonist Binding Domains

(2016) Sharon A. Swanger et al.   AMERICAN JOURNAL OF HUMAN GENETICS

Semiclosed Conformations of the Ligand-Binding Domains of NMDA Receptors during Stationary Gating

(2016) Jian Dai et al.   BIOPHYSICAL JOURNAL

HTMD: High-Throughput Molecular Dynamics for Molecular Discovery

(2016) S. Doerr et al.   Journal of Chemical Theory and Computation

Human GRIN2B variants in neurodevelopmental disorders

(2016) Chun Hu et al.   JOURNAL OF PHARMACOLOGICAL SCIENCES

UniProt: the universal protein knowledgebase

(2016)   NUCLEIC ACIDS RESEARCH

Molecular dynamics study-based mechanism of nefiracetam-induced NMDA receptor potentiation

(2015) Olaposi I. Omotuyi et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

TwoN-glycosylation Sites in the GluN1 Subunit Are Essential for ReleasingN-methyl-d-aspartate (NMDA) Receptors from the Endoplasmic Reticulum

(2015) Katarina Lichnerova et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

(2015) Martin K. Scherer et al.   Journal of Chemical Theory and Computation

Reduced Curvature of Ligand-Binding Domain Free-Energy Surface Underlies Partial Agonism at NMDA Receptors

(2015) Jian Dai et al.   STRUCTURE

Block of NMDA receptor channels by endogenous neurosteroids: implications for the agonist induced conformational states of the channel vestibule

(2015) Vojtech Vyklicky et al.   Scientific Reports

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

An NMDA Receptor Gating Mechanism Developed from MD Simulations Reveals Molecular Details Underlying Subunit-Specific Contributions

(2013) Jian Dai et al.   BIOPHYSICAL JOURNAL

Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics

(2013) Yongneng Yao et al.   STRUCTURE

Unipro UGENE: a unified bioinformatics toolkit

(2012) Konstantin Okonechnikov et al.   BIOINFORMATICS

C-terminal Domains ofN-Methyl-d-aspartic Acid Receptor Modulate Unitary Channel Conductance and Gating

(2012) Bruce A. Maki et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Rare mutations in N-methyl-D-aspartate glutamate receptors in autism spectrum disorders and schizophrenia

(2011) J Tarabeux et al.   Translational Psychiatry

Stationary Gating of GluN1/GluN2B Receptors in Intact Membrane Patches

(2010) Stacy A. Amico-Ruvio et al.   BIOPHYSICAL JOURNAL

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY