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List of works by Harel Weinstein

A Flexible Docking Procedure for the Exploration of Peptide Binding Selectivity to Known Structures and Homology Models of PDZ Domains

scientific article published on 01 October 2005

A GIPC1-Palmitate Switch Modulates Dopamine Drd3 Receptor Trafficking and Signaling.

scientific article published on 19 January 2016

A Locus of the Gonadotropin-releasing Hormone Receptor That Differentiates Agonist and Antagonist Binding Sites

scientific article published in Journal of Biological Chemistry

A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs

scientific article published on 02 June 2019

A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter.

scientific article published on 06 January 2017

A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited

scientific article published on 03 January 2019

A cluster of aromatic residues in the sixth membrane-spanning segment of the dopamine D2 receptor is accessible in the binding-site crevice

scientific article published on 01 January 1998

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

scientific article published on 31 July 2006

A detailed interpretation of OH radical footprints in a TBP-DNA complex reveals the role of dynamics in the mechanism of sequence-specific binding

scientific article published on 01 November 2000

A dynamic model of membrane-bound phospholipase Cβ2 activation by Gβγ subunits.

scientific article

A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2

scientific article

A juxtamembrane mutation in the N terminus of the dopamine transporter induces preference for an inward-facing conformation.

scientific article

A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins.

scientific article

A lightweight method for evaluating in situ workflow efficiency

scientific article published in January 2021

A mechanistic role of Helix 8 in GPCRs: Computational modeling of the dopamine D2 receptor interaction with the GIPC1-PDZ-domain

scientific article

A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport.

scientific article published on 15 January 2018

A pincer-like configuration of TM2 in the human dopamine transporter is responsible for indirect effects on cocaine binding.

scientific article

A proposed structure for transmembrane segment 7 of G protein-coupled receptors incorporating an asn-Pro/Asp-Pro motif

scientific article

A second site rescue mutation partially restores functional expression to the serotonin transporter mutant V382P.

scientific article

A surface on the G protein beta-subunit involved in interactions with adenylyl cyclases

scientific article

A theoretical model study of the comparative effectiveness of atropine and scopolamine action in the central nervous system

scientific article published on January 21, 1977

AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems.

scientific article

Accurate In Silico Modeling of Asymmetric Bilayers Based on Biophysical Principles

scientific article published on 15 September 2018

Acetylcholine-Like Molecular Arrangement in Psychomimetic Anticholinergic Drugs ⬇️

scientific article published on November 1, 1973

Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters.

scientific article published on 19 February 2016

Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation.

scientific article

An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1

scientific article published on 01 May 2018

An intracellular interaction network regulates conformational transitions in the dopamine transporter.

scientific article published on 21 April 2008

Antagonism of histamine-activated adenylate cyclase in brain by D-lysergic acid diethylamide ⬇️

scientific article published on December 1, 1977

Augmenting drug-carrier compatibility improves tumour nanotherapy efficacy

scientific article published on 13 April 2016

Batch mode generation of residue-based diagrams of proteins.

scientific article published on September 2003

Binding mechanisms of TATA box-binding proteins: DNA kinking is stabilized by specific hydrogen bonds

scientific article

Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation

scientific article

Building protein diagrams on the web with the residue-based diagram editor RbDe.

scientific article

Certain 1,4-disubstituted aromatic piperidines and piperazines with extreme selectivity for the dopamine D4 receptor interact with a common receptor microdomain

scientific journal article

Characterization of novel cathepsin K mutations in the pro and mature polypeptide regions causing pycnodysostosis.

scientific article

Chloride binding site of neurotransmitter sodium symporters

scientific article published on 2 May 2013

Cholesterol modulates the membrane effects and spatial organization of membrane-penetrating ligands for G-protein coupled receptors

scientific article

Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances - The case of the benzofuran 5-MAPB.

scientific article published on 24 November 2016

Comparative modeling and molecular dynamics studies of the delta, kappa and mu opioid receptors ⬇️

scientific article published on September 1, 1997

Computational approaches to detect allosteric pathways in transmembrane molecular machines

scientific article published on 21 January 2016

Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2 -containing membranes.

scientific article

Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu290

scientific article published on 29 July 2016

Conformational changes in dopamine transporter intracellular regions upon cocaine binding and dopamine translocation

scientific article

Conformational dynamics of ligand-dependent alternating access in LeuT.

scientific article

Conserved helix 7 tyrosine acts as a multistate conformational switch in the 5HT2C receptor. Identification of a novel "locked-on" phenotype and double revertant mutations.

scientific article published on 26 July 2002

Constitutive activation of the mu opioid receptor by mutation of D3.49(164), but not D3.32(147): D3.49(164) is critical for stabilization of the inactive form of the receptor and for its expression.

scientific article

Crooked tail (Cd) model of human folate-responsive neural tube defects is mutated in Wnt coreceptor lipoprotein receptor-related protein 6.

scientific article

Does TATA matter? A structural exploration of the selectivity determinants in its complexes with TATA box-binding protein

scientific article

Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.

scientific article

Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca2+-bound nhTMEM16

scientific article published on 31 October 2019

ESCRT-II/Vps25 constrains digit number by endosome-mediated selective modulation of FGF-SHH signaling

scientific article

Effects of tobacco smoke on gene expression and cellular pathways in a cellular model of oral leukoplakia.

scientific article published on 31 March 2008

Electrostatic analysis of DNA binding properties in lysine to leucine mutants of TATA-box binding proteins

scientific article published on 01 June 1995

Energetic and structural considerations for the mechanism of protein sliding along DNA in the nonspecific BamHI-DNA complex.

scientific article

Evolutionary Divergence of the C-terminal Domain of Complexin Accounts for Functional Disparities between Vertebrate and Invertebrate Complexins

scientific article

Experimental conditions can obscure the second high-affinity site in LeuT.

scientific article published on 15 January 2012

Functional Microdomains in G-protein-coupled Receptors

scientific article published in Journal of Biological Chemistry

Functional Selectivity and Classical Concepts of Quantitative Pharmacology

scientific article

Functional mechanisms of neurotransmitter transporters regulated by lipid-protein interactions of their terminal loops

scientific article published on 4 April 2015

Functional role of a conserved motif in TM6 of the rat mu opioid receptor: constitutively active and inactive receptors result from substitutions of Thr6.34(279) with Lys and Asp.

scientific article

Functional role of arginine-11 in the N-terminal helix of skeletal troponin C: combined mutagenesis and molecular dynamics investigation

scientific article published on 01 June 1995

Functional role of the spatial proximity of Asp114(2.50) in TMH 2 and Asn332(7.49) in TMH 7 of the mu opioid receptor

scientific article published in March 1999

GPCRmd uncovers the dynamics of the 3D-GPCRome

scientific article published on 13 July 2020

Gating mechanism of the extracellular entry to the lipid pathway in a TMEM16 scramblase

scientific article published in Nature Communications

Gramicidin Increases Lipid Flip-Flop in Symmetric and Asymmetric Lipid Vesicles

scientific article published on 25 January 2019

Hinges, swivels and switches: the role of prolines in signalling via transmembrane alpha-helices

scientific article

How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties.

scientific article published on 14 March 2018

Identification of GATC- and CCGG-recognizing Type II REases and their putative specificity-determining positions using Scan2S--a novel motif scan algorithm with optional secondary structure constraints

scientific article published on May 2008

Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD.

scientific article

In support of the BMRB.

scientific article published in September 2012

Ion-Controlled Conformational Dynamics in the Outward-Open Transition from an Occluded State of LeuT ⬇️

scientific article published on September 5, 2012

Ion/substrate-dependent conformational dynamics of a bacterial homolog of neurotransmitter:sodium symporters.

scientific article

Key issues in the computational simulation of GPCR function: representation of loop domains.

scientific article

Ligand selectivity of D2 dopamine receptors is modulated by changes in local dynamics produced by sodium binding.

scientific article published on 10 October 2008

Ligand-dependent conformations and dynamics of the serotonin 5-HT(2A) receptor determine its activation and membrane-driven oligomerization properties

scientific article

Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters

scientific article published on 13 April 2015

Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin

scientific article published on 18 December 2017

Mechanistic insights from a refined three-dimensional model of integrin alphaIIbbeta3.

scientific article published on 30 March 2004

Membrane driven spatial organization of GPCRs

scientific article

Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins

scientific article published on 21 November 2019

Membrane localization is critical for activation of the PICK1 BAR domain

scientific article published on 8 May 2008

Missense dopamine transporter mutations associate with adult parkinsonism and ADHD.

scientific article

Modeling activated states of GPCRs: the rhodopsin template

scientific article

Modeling activated states of GPCRs: the rhodopsin template

Modeling membrane deformations and lipid demixing upon protein-membrane interaction: the BAR dimer adsorption.

scientific article published on September 2009

Modeling membrane proteins based on low-resolution electron microscopy maps: a template for the TM domains of the oxalate transporter OxlT.

scientific article published in March 2005

Molecular basis of partial agonism: orientation of indoleamine ligands in the binding pocket of the human serotonin 5-HT2A receptor determines relative efficacy.

scientific article published on January 2003

Molecular determinants for the complex binding specificity of the PDZ domain in PICK1

scientific journal article

Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.

scientific article

Molecular dynamics simulations of transducin: interdomain and front to back communication in activation and nucleotide exchange.

scientific article

Molecular dynamics simulations predict a tilted orientation for the helical region of dynorphin A(1-17) in dimyristoylphosphatidylcholine bilayers

scientific article

Multiple Interactions of the Asp2.61(98)Side Chain of the Gonadotropin-Releasing Hormone Receptor Contribute Differentially to Ligand Interaction†

article

Mutations affecting the oligomerization interface of G-protein-coupled receptors revealed by a novel de novo protein design framework

scientific article

NbIT--a new information theory-based analysis of allosteric mechanisms reveals residues that underlie function in the leucine transporter LeuT.

scientific article

Neurofilament (NF) Assembly; Divergent Characteristics of Human and Rodent NF-L Subunits ⬇️

scientific article published on February 27, 1998

Not just an oil slick: how the energetics of protein-membrane interactions impacts the function and organization of transmembrane proteins.

scientific article

On the use of the transmembrane domain of bacteriorhodopsin as a template for modeling the three-dimensional structure of guanine nucleotide-binding regulatory protein-coupled receptors ⬇️

scientific article published on May 1, 1992

PDZBase: a protein-protein interaction database for PDZ-domains

scientific article

PIP2 regulates psychostimulant behaviors through its interaction with a membrane protein.

scientific article

Phosphatidylinositol 4,5-Biphosphate (PIP2) Lipids Regulate the Phosphorylation of Syntaxin N-Terminus by Modulating Both Its Position and Local Structure ⬇️

scientific article published on September 18, 2012

Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method

scientific article published on 01 November 2002

Probing the structural determinants for the function of intracellular loop 2 in structurally cognate G-protein-coupled receptors

scientific article

Progressive DNA bending is made possible by gradual changes in the torsion angle of the glycosyl bond.

scientific article

Protein and lipid interactions driving molecular mechanisms of in meso crystallization

scientific article published on 14 February 2014

Protein diffusion on charged membranes: a dynamic mean-field model describes time evolution and lipid reorganization.

scientific article

Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome

scientific article published on 23 July 2020

Quantitative Modeling of Membrane Deformations by Multihelical Membrane Proteins: Application to G-Protein Coupled Receptors ⬇️

scientific article published on November 2, 2011

Related contribution of specific helix 2 and 7 residues to conformational activation of the serotonin 5-HT2A receptor

scientific article published on 01 July 1995

Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice.

scientific article published on September 1996

Schematic representation of residue-based protein context-dependent data: an application to transmembrane proteins

scientific article

Selective binding of the TATA box-binding protein to the TATA box-containing promoter: analysis of structural and energetic factors

scientific article

Single-molecule analysis of ligand efficacy in β2AR-G-protein activation

scientific article published on 07 June 2017

Single-molecule dynamics of gating in a neurotransmitter transporter homologue

scientific article

Spontaneous inward opening of the dopamine transporter is triggered by PIP2-regulated dynamics of the N-terminus

scientific article

State-dependent conformations of the translocation pathway in the tyrosine transporter Tyt1, a novel neurotransmitter:sodium symporter from Fusobacterium nucleatum.

scientific article published on 23 June 2006

Steric Hindrance Mutagenesis in the Conserved Extracellular Vestibule Impedes Allosteric Binding of Antidepressants to the Serotonin Transporter ⬇️

scientific article published on September 24, 2012

Structural change mechanisms in regulatory proteins

scientific article

Structural intermediates in a model of the substrate translocation path of the bacterial glutamate transporter homologue GltPh.

scientific article

Structural mimicry of proline kinks: tertiary packing interactions support local structural distortions.

scientific article published in May 2002

Structural models for dimerization of G-protein coupled receptors: the opioid receptor homodimers.

scientific article

Structural probing of a microdomain in the dopamine transporter by engineering of artificial Zn2+ binding sites

scientific article published on 01 December 2000

Structure and dynamics of calmodulin in solution.

scientific article

Structure-activity relationships of a small-molecule inhibitor of the PDZ domain of PICK1

scientific article

Studies on histamine H2 receptors coupled to cardiac adenylate cyclase. Effects of guanylnucleotides and structural requirements for agonist activity

scientific article published on October 4, 1979

Substrate-dependent proton antiport in neurotransmitter:sodium symporters

scientific article

Substrate-induced unlocking of the inner gate determines the catalytic efficiency of a neurotransmitter:sodium symporter.

scientific article

TIT for TAT: the properties of inosine and adenosine in TATA box DNA.

scientific article published in February 1999

The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems

scientific article published on 21 October 2016

The Functional Microdomain in Transmembrane Helices 2 and 7 Regulates Expression, Activation, and Coupling Pathways of the Gonadotropin-releasing Hormone Receptor

scientific article published in Journal of Biological Chemistry

The LeuT-fold neurotransmitter:sodium symporter MhsT has two substrate sites.

scientific article published on 6 August 2018

The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor

scientific article published on 19 July 2019

The behavioral effects of phencyclidines may be due to their blockade of potassium channels ⬇️

scientific article published on December 1, 1981

The binding sites for benztropines and dopamine in the dopamine transporter overlap.

scientific article published on 06 September 2010

The correlation between multidomain enzymes and multiple activation mechanisms— The case of phospholipase Cβ and its membrane interactions ⬇️

scientific article published on August 30, 2011

The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.

scientific article published on 30 January 2013

The fourth transmembrane segment of the dopamine D2 receptor: accessibility in the binding-site crevice and position in the transmembrane bundle

scientific journal article

The local environment at the cytoplasmic end of TM6 of the mu opioid receptor differs from those of rhodopsin and monoamine receptors: introduction of an ionic lock between the cytoplasmic ends of helices 3 and 6 by a L6.30(275)E mutation inactivate

scientific article published in October 2002

The role of a conserved proline residue in mediating conformational changes associated with voltage gating of Cx32 gap junctions

scientific article

The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state.

scientific article published on 20 March 2017

The second sodium site in the dopamine transporter controls cation permeation and is regulated by chloride

scientific article

The study of G-protein coupled receptor oligomerization with computational modeling and bioinformatics.

scientific article

Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter.

scientific article published on 15 November 2017

Three-dimensional representations of G protein-coupled receptor structures and mechanisms

scientific article published on 01 January 2002

Topology of Type II REases revisited; structural classes and the common conserved core

scientific article

Toward realistic modeling of dynamic processes in cell signaling: quantification of macromolecular crowding effects

scientific article published in October 2007

Transport domain unlocking sets the uptake rate of an aspartate transporter.

scientific article

Trefoil factor family-1 mutations enhance gastric cancer cell invasion through distinct signaling pathways

scientific article published on 01 May 2006

Turkey must end violent response to protests

scientific article

Why GPCRs behave differently in cubic and lamellar lipidic mesophases

scientific article

X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release

scientific article published on 21 February 2020

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