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Author Details

Harel Weinstein
Institute for Computational Biomedicine
1973
255
66
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36711446Analysis of the molecular determinants for furin cleavage of the spike protein S1/S2 site in defined strains of the prototype coronavirus murine hepatitis virus (MHV).bioRxiv2023
37275961Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes.Front Mol Biosci2023
35942471The permeation of potassium ions through the lipid scrambling path of the membrane protein nhTMEM16.Front Mol Biosci2022
35605664Phosphatidylinositol phosphates modulate interactions between the StarD4 sterol trafficking protein and lipid membranes.J Biol Chem2022
36570071Dual-Reporter System for Real-Time Monitoring of SARS-CoV-2 Main Protease Activity in Live Cells Enables Identification of an Allosteric Inhibition Path.ACS Bio Med Chem Au2022
36123525The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase.Commun Biol2022
35878032Molecular determinants of pH sensing in the proton-activated chloride channel.Proc Natl Acad Sci U S A2022
31603792A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes.IEEE/ACM Trans Comput Biol Bioinform2021
33631204Ca<sup>2+</sup>-dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide.Biophys J2021
34834047Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl<sup>-</sup>/H<sup>+</sup> Antiporter.Molecules2021
34065494Ligand-Dependent Conformational Transitions in Molecular Dynamics Trajectories of GPCRs Revealed by a New Machine Learning Rare Event Detection Protocol.Molecules2021
34135520Localization atomic force microscopy.Nature2021
33299996Ca <sup>2+</sup> -dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide.bioRxiv2021
32514183Use of paramagnetic [19]F NMR to monitor domain movement in a glutamate transporter homolog.Nat Chem Biol2020
32081981X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release.Nat Commun2020
31750558Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins.J Comput Chem2020
32103528Substrate-selective protein ectodomain shedding by ADAM17 and iRhom2 depends on their juxtamembrane and transmembrane domains.FASEB J2020
32661425GPCRmd uncovers the dynamics of the 3D-GPCRome.Nat Methods2020
32704182Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.Nat Methods2020
30665693A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited.Biophys J2019
31672969Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca<sup>2+</sup>-bound nhTMEM16.Nat Commun2019
31324743The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor.Proc Natl Acad Sci U S A2019
31378312A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited.Biophys J2019
31159491A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs.Molecules2019
29290486Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin.Structure2018
30082383The LeuT-fold neurotransmitter:sodium symporter MhsT has two substrate sites.Proc Natl Acad Sci U S A2018
30108217Gating mechanism of the extracellular entry to the lipid pathway in a TMEM16 scramblase.Nat Commun2018
30297133Accurate In Silico Modeling of Asymmetric Bilayers Based on Biophysical Principles.Biophys J2018
29768204An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1.Cell Rep2018
29540172How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties.BMC Biol2018
29335402A partially-open inward-facing intermediate conformation of LeuT is associated with Na<sup>+</sup> release and substrate transport.Nat Commun2018
29153319Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter.Biophys J2018
27890676Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances - The case of the benzofuran 5-MAPB.Prog Neuropsychopharmacol Biol Psychiatry2017
28104813Structural modeling defines transmembrane residues in ADAM17 that are crucial for Rhbdf2-ADAM17-dependent proteolysis.J Cell Sci2017
28320858The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state.J Biol Chem2017
28607487Single-molecule analysis of ligand efficacy in β<sub>2</sub>AR-G-protein activation.Nature2017
28603484Evolutionary Divergence of the C-terminal Domain of Complexin Accounts for Functional Disparities between Vertebrate and Invertebrate Complexins.Front Mol Neurosci2017
28059145A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter.Sci Rep2017
26892914Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters.Chem Rev2016
27766843The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems.J Chem Theory Comput2016
27474737Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu290.J Biol Chem2016
27071376Augmenting drug-carrier compatibility improves tumour nanotherapy efficacy.Nat Commun2016
26806157Computational approaches to detect allosteric pathways in transmembrane molecular machines.Biochim Biophys Acta2016
26787837A GIPC1-Palmitate Switch Modulates Dopamine Drd3 Receptor Trafficking and Signaling.Mol Cell Biol2016
26811944Role of Annular Lipids in the Functional Properties of Leucine Transporter LeuT Proteomicelles.Biochemistry2016
25592838A mechanistic role of Helix 8 in GPCRs: Computational modeling of the dopamine D2 receptor interaction with the GIPC1-PDZ-domain.Biochim Biophys Acta2015
26594108AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems.Entropy (Basel)2015
26255829Spontaneous inward opening of the dopamine transporter is triggered by PIP2-regulated dynamics of the N-terminus.ACS Chem Neurosci2015
26363074Substrate-induced unlocking of the inner gate determines the catalytic efficiency of a neurotransmitter:sodium symporter.J Biol Chem2015
26073603Structure of Dimeric and Tetrameric Complexes of the BAR Domain Protein PICK1 Determined by Small-Angle X-Ray Scattering.Structure2015
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Collaborators

Stuart C Sealfon
Icahn School of Medicine at Mount Sinai
Co-authored papers 11
Fabien Campagne
Weill Cornell Medical College
Co-authored papers 7
Michel A Cuendet
Precision Oncology Center, Lausanne University Hospital
Co-authored papers 5
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Co-authored papers 3
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Brain and Mind Research Institute
Co-authored papers 3
Harold A Scheraga
Co-authored papers 3
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Institut fur Pharmazeutische Chemie, Philipps-Universitat Marburg
Co-authored papers 2
Michael N Liebman
Iowa State University
Co-authored papers 2
Jens Carlsson
Uppsala University
Co-authored papers 2
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Co-authored papers 2
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Weill Medical College of Cornell University
Co-authored papers 2
Adam Liwo
Co-authored papers 2
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Co-authored papers 2
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Co-authored papers 2
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Albert Einstein College of Medicine
Co-authored papers 1
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Center for Integrated Protein Science, Technische Universitat Munchen
Co-authored papers 1
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Leicester Institute of Structural and Chemical Biology, University of Leicester
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Ramasubbu Sankararamakrishnan
Co-authored papers 1
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University of Texas Southwestern Medical Center
Co-authored papers 1
Mike P Williamson
The University of Sheffield
Co-authored papers 1
Lu-Yun Lian
Institute of Systems, The University of Liverpool
Co-authored papers 1
Zahi A Fayad
Co-authored papers 1
Igor L Barsukov
Institute of Integrative Biology, University of Liverpool
Co-authored papers 1
David E Shaw
Columbia University
Co-authored papers 1
Ad Bax
National Institutes of Health
Co-authored papers 1
Patrick C A van der Wel
Zernike Institute for Advanced Materials, University of Groningen
Co-authored papers 1
David Middleton
Co-authored papers 1
Ioannis Vakonakis
University of Oxford
Co-authored papers 1
Thomas A Frenkiel
The Medical Research Council Biomedical NMR Centre, The Francis Crick Institute
Co-authored papers 1
Mark von Zastrow
University of California san francisco
Co-authored papers 1
Release 1.2