Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter
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January 2018 |
Spontaneous Inward Opening of the Dopamine Transporter is Triggered by PIP2-Regulated Dynamics of the N-Terminus
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February 2016 |
X-ray structures of LeuT in substrate-free outward-open and apo inward-open states
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January 2012 |
Simple Allosteric Model for Membrane Pumps
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August 1966 |
AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems
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May 2015 |
Scalable molecular dynamics with NAMD
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January 2005 |
Molecular Determinants for Substrate Interactions with the Glycine Transporter GlyT2
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November 2017 |
Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP 2 -Regulated Dynamics of the N-Terminus
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August 2015 |
The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems
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November 2016 |
Computational approaches to detect allosteric pathways in transmembrane molecular machines
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July 2016 |
Chloride binding site of neurotransmitter sodium symporters
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May 2013 |
High-Affinity Adaptors for Switchable Recognition of Histidine-Tagged Proteins
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July 2005 |
Unlocking the molecular secrets of sodium-coupled transporters
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May 2009 |
How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties
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March 2018 |
Identification of a second substrate-binding site in solute-sodium symporters.
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March 2015 |
Single-molecule imaging of non-equilibrium molecular ensembles on the millisecond timescale
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February 2016 |
Anton, a special-purpose machine for molecular dynamics simulation
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conference
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January 2007 |
Unbiased Simulations Reveal the Inward-Facing Conformation of the Human Serotonin Transporter and Na+ Ion Release
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October 2011 |
Conformational transitions of the sodium-dependent sugar transporter, vSGLT
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March 2018 |
The bright future of single-molecule fluorescence imaging
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June 2014 |
Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters
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July 2005 |
Ion-Controlled Conformational Dynamics in the Outward-Open Transition from an Occluded State of LeuT
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September 2012 |
X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine
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May 2015 |
A Competitive Inhibitor Traps LeuT in an Open-to-Out Conformation
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December 2008 |
Rotamers: To be or not to be?
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March 1993 |
Common Folds and Transport Mechanisms of Secondary Active Transporters
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May 2013 |
Neurotransmitter and psychostimulant recognition by the dopamine transporter
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May 2015 |
The LeuT-fold neurotransmitter:sodium symporter MhsT has two substrate sites
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August 2018 |
Anton, a special-purpose machine for molecular dynamics simulation
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June 2007 |
Conformational dynamics of ligand-dependent alternating access in LeuT
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April 2014 |
Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics
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February 2012 |
A Simple Method for Automated Equilibration Detection in Molecular Simulations
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March 2016 |
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
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June 2010 |
Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters
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February 2016 |
Mechanism of chloride interaction with neurotransmitter:sodium symporters
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August 2007 |
The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems
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February 2017 |
The Mechanism of a Neurotransmitter:Sodium Symporter—Inward Release of Na+ and Substrate Is Triggered by Substrate in a Second Binding Site
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June 2008 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Structural basis for recognition of diverse antidepressants by the human serotonin transporter
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January 2018 |
Comparative Protein Structure Modeling Using Modeller
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September 2006 |
A rapid, sensitive, and specific method for the determination of protein in dilute solution
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December 1973 |
Computational modeling with forward and reverse engineering links signaling network and genomic regulatory responses: NF-κB signaling-induced gene expression responses in inflammation
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January 2010 |
X-ray structure of dopamine transporter elucidates antidepressant mechanism
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September 2013 |
Computational characterization of structural dynamics underlying function in active membrane transporters
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April 2015 |
Identification of a Second Substrate-binding Site in Solute-Sodium Symporters
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November 2014 |
A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport
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January 2018 |
Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure
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October 2013 |
Transport domain unlocking sets the uptake rate of an aspartate transporter
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February 2015 |
Coupled Global and Local Changes Direct Substrate Translocation by Neurotransmitter-Sodium Symporter Ortholog LeuT
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August 2013 |
Conformational cycle and ion-coupling mechanism of the Na+/hydantoin transporter Mhp1
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September 2014 |
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles
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August 2012 |
Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics
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December 2019 |
X-ray structures and mechanism of the human serotonin transporter
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April 2016 |
Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homologue
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April 2011 |
Single-molecule dynamics of gating in a neurotransmitter transporter homologue
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May 2010 |
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
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December 2015 |
NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT
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May 2014 |
Monitoring the function of membrane transport proteins in detergent-solubilized form
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February 2007 |
Conformational dynamics of a neurotransmitter:sodium symporter in a lipid bilayer
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February 2017 |
Comparative Protein Structure Modeling Using MODELLER
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November 2007 |
A Comprehensive Structure-Based Alignment of Prokaryotic and Eukaryotic Neurotransmitter/Na + Symporters (NSS) Aids in the Use of the LeuT Structure to Probe NSS Structure and Function
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July 2006 |
Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
Dynamical networks in tRNA:protein complexes
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April 2009 |
A smooth particle mesh Ewald method
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November 1995 |
An Intracellular Interaction Network Regulates Conformational Transitions in the Dopamine Transporter
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April 2008 |
Residues crucial for maintaining short paths in network communication mediate signaling in proteins
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January 2006 |
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994 |
Neurotransmitter transporters and their impact on the development of psychopharmacology: Neurotransmitter transporters
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January 2006 |
The Role of Local Hydration and Hydrogen-Bonding Dynamics in Ion and Solute Release from Ion-Coupled Secondary Transporters
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March 2011 |
VMD: Visual molecular dynamics
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February 1996 |
A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter
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January 2017 |
Substrate-dependent proton antiport in neurotransmitter:sodium symporters
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December 2009 |
Anton, a special-purpose machine for molecular dynamics simulation
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July 2008 |
Ultra-stable organic fluorophores for single-molecule research
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January 2014 |
Detection of Allosteric Signal Transmission by Information-Theoretic Analysis of Protein Dynamics
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January 2012 |
Restoration of Single-Channel Currents Using the Segmental k-Means Method Based on Hidden Markov Modeling
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March 2004 |
Neurotransmitter transporters as molecular targets for addictive drugs
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June 1998 |
Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure
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January 2016 |
Substrate-induced Unlocking of the Inner Gate Determines the Catalytic Efficiency of a Neurotransmitter:Sodium Symporter
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September 2015 |
Two Na + Sites Control Conformational Change in a Neurotransmitter Transporter Homolog
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November 2015 |
The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state
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March 2017 |
Allosteric modulation of human dopamine transporter activity under conditions promoting its dimerization
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June 2017 |
State-dependent Conformations of the Translocation Pathway in the Tyrosine Transporter Tyt1, a Novel Neurotransmitter:Sodium Symporter from Fusobacterium nucleatum
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June 2006 |