selected publications
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Substrate binding-induced conformational transitions in the omega-3 fatty acid transporter MFSD2A.
Nature communications.
2023
Academic Article
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Times cited: 510 - Sampling Bottleneck in Validating Membrane Dynamics. bioRxiv : the preprint server for biology. 2023 Article GET IT
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CD19 CAR antigen engagement mechanisms and affinity tuning.
Science immunology.
2023
Academic Article
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Times cited: 2 - BTG1 mutation yields supercompetitive B cells primed for malignant transformation. Science (New York, N.Y.). 2023 Academic Article GET IT
- Molecular simulations and NMR reveal how lipid fluctuations affect membrane mechanics. Biophysical journal. 2022 Academic Article GET IT
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The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase.
Communications biology.
2022
Academic Article
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Times cited: 3 -
The permeation of potassium ions through the lipid scrambling path of the membrane protein nhTMEM16.
Frontiers in molecular biosciences.
2022
Academic Article
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Times cited: 306 - Cholesterol occupies the lipid translocation pathway to block phospholipid scrambling by a G protein-coupled receptor. Structure (London, England : 1993). 2022 Academic Article GET IT
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Phosphatidylinositol phosphates modulate interactions between the StarD4 sterol trafficking protein and lipid membranes.
The Journal of biological chemistry.
2022
Academic Article
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Times cited: 3 -
Conformational transitions in BTG1 antiproliferative protein and their modulation by disease mutants.
Biophysical journal.
2022
Academic Article
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Times cited: 3 -
Mechanistic Kinetic Model Reveals How Amyloidogenic Hydrophobic Patches Facilitate the Amyloid-β Fibril Elongation.
ACS chemical neuroscience.
2022
Academic Article
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Times cited: 2 -
Phospholipid Scrambling by G Protein-Coupled Receptors.
Annual review of biophysics.
2021
Review
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Times cited: 6 -
Localization atomic force microscopy.
Nature.
2021
Academic Article
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Times cited: 61 -
Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Nature.
2021
Academic Article
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Times cited: 29 -
Reply to Nagle et al.: The universal stiffening effects of cholesterol on lipid membranes.
Proceedings of the National Academy of Sciences of the United States of America.
2021
Letter
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Times cited: 9 -
Unusual mode of dimerization of retinitis pigmentosa-associated F220C rhodopsin.
Scientific reports.
2021
Academic Article
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Times cited: 4 -
Ca2+-dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide.
Biophysical journal.
2021
Academic Article
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Times cited: 30 - Ca 2+ -dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide. bioRxiv : the preprint server for biology. 2021 Article GET IT
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How cholesterol stiffens unsaturated lipid membranes.
Proceedings of the National Academy of Sciences of the United States of America.
2020
Academic Article
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Times cited: 135 -
Confinement in Nanodiscs Anisotropically Modifies Lipid Bilayer Elastic Properties.
The journal of physical chemistry. B.
2020
Academic Article
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Times cited: 16 -
Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nature methods.
2020
Article
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Times cited: 1 -
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nature methods.
2020
Academic Article
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Times cited: 60 -
X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release.
Nature communications.
2020
Academic Article
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Times cited: 22 -
Exchange of water for sterol underlies sterol egress from a StARkin domain.
eLife.
2019
Academic Article
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Times cited: 10 -
Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins.
Journal of computational chemistry.
2019
Academic Article
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Times cited: 11 -
Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca2+-bound nhTMEM16.
Nature communications.
2019
Academic Article
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Times cited: 18 -
A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited.
Biophysical journal.
2019
Article
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Times cited: 1 -
The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor.
Proceedings of the National Academy of Sciences of the United States of America.
2019
Academic Article
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Times cited: 18 -
A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs.
Molecules (Basel, Switzerland).
2019
Academic Article
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Times cited: 30 -
A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited.
Biophysical journal.
2019
Academic Article
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Times cited: 42 -
Mesoscale Computational Modeling of Protein-Membrane Interactions Based on Continuum Mean-Field Theory.
Methods in molecular biology (Clifton, N.J.).
2019
Review
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Times cited: 1 -
Gating mechanism of the extracellular entry to the lipid pathway in a TMEM16 scramblase.
Nature communications.
2018
Academic Article
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Times cited: 52 -
An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1.
Cell reports.
2018
Academic Article
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Times cited: 31 -
How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties.
BMC biology.
2018
Academic Article
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Times cited: 27 -
A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport.
Nature communications.
2018
Academic Article
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Times cited: 31 -
Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin.
Structure (London, England : 1993).
2017
Academic Article
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Times cited: 38 -
An engineered opsin monomer scrambles phospholipids.
Scientific reports.
2017
Academic Article
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Times cited: 10 -
Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter.
Biophysical journal.
2017
Academic Article
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Times cited: 13 -
Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophysical journal.
2017
Academic Article
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Times cited: 26 -
Ligand modulation of sidechain dynamics in a wild-type human GPCR.
eLife.
2017
Academic Article
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Times cited: 59 -
Light-independent phospholipid scramblase activity of bacteriorhodopsin from Halobacterium salinarum.
Scientific reports.
2017
Academic Article
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Times cited: 15 -
Determination of bending rigidity and tilt modulus of lipid membranes from real-space fluctuation analysis of molecular dynamics simulations.
Physical chemistry chemical physics : PCCP.
2017
Academic Article
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Times cited: 72 -
A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter.
Scientific reports.
2017
Academic Article
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Times cited: 52 -
Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances - The case of the benzofuran 5-MAPB.
Progress in neuro-psychopharmacology & biological psychiatry.
2016
Academic Article
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Times cited: 14 -
Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu290.
The Journal of biological chemistry.
2016
Academic Article
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Times cited: 16 -
Erratum to: Implementation of a methodology for determining elastic properties of lipid assemblies from molecular dynamics simulations.
BMC bioinformatics.
2016
Article
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Times cited: 19 -
Implementation of a methodology for determining elastic properties of lipid assemblies from molecular dynamics simulations.
BMC bioinformatics.
2016
Academic Article
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Times cited: 19 -
Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters.
Chemical reviews.
2016
Review
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Times cited: 57 -
Role of Annular Lipids in the Functional Properties of Leucine Transporter LeuT Proteomicelles.
Biochemistry.
2016
Academic Article
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Times cited: 11 -
Spontaneous inward opening of the dopamine transporter is triggered by PIP2-regulated dynamics of the N-terminus.
ACS chemical neuroscience.
2015
Academic Article
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Times cited: 78 -
Structure of Dimeric and Tetrameric Complexes of the BAR Domain Protein PICK1 Determined by Small-Angle X-Ray Scattering.
Structure (London, England : 1993).
2015
Academic Article
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Times cited: 29 -
Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters.
The Journal of biological chemistry.
2015
Academic Article
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Times cited: 40 -
Functional mechanisms of neurotransmitter transporters regulated by lipid-protein interactions of their terminal loops.
Biochimica et biophysica acta.
2015
Review
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Times cited: 22 -
Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2 -containing membranes.
Proteins.
2015
Academic Article
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Times cited: 39 -
Cholesterol under oxidative stress-How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols.
Free radical biology & medicine.
2015
Academic Article
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Times cited: 52 -
Transport domain unlocking sets the uptake rate of an aspartate transporter.
Nature.
2015
Academic Article
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Times cited: 122 -
Curvature and Lipid Packing Modulate the Elastic Properties of Lipid Assemblies: Comparing HII and Lamellar Phases.
The journal of physical chemistry letters.
2014
Academic Article
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Times cited: 17 -
A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2.
Journal of the American Chemical Society.
2014
Academic Article
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Times cited: 60 -
Not just an oil slick: how the energetics of protein-membrane interactions impacts the function and organization of transmembrane proteins.
Biophysical journal.
2014
Review
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Times cited: 43 -
PIP2 regulates psychostimulant behaviors through its interaction with a membrane protein.
Nature chemical biology.
2014
Academic Article
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Times cited: 91 -
Protein and lipid interactions driving molecular mechanisms of in meso crystallization.
Journal of the American Chemical Society.
2014
Academic Article
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Times cited: 17 -
Molecular origins of bending rigidity in lipids with isolated and conjugated double bonds: the effect of cholesterol.
Chemistry and physics of lipids.
2014
Academic Article
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Times cited: 27 -
How the dynamic properties and functional mechanisms of GPCRs are modulated by their coupling to the membrane environment.
Advances in experimental medicine and biology.
2014
Review
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Times cited: 19 -
Membrane driven spatial organization of GPCRs.
Scientific reports.
2013
Academic Article
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Times cited: 92 -
The membrane protein LeuT in micellar systems: aggregation dynamics and detergent binding to the S2 site.
Journal of the American Chemical Society.
2013
Academic Article
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Times cited: 29 -
Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases.
Journal of chemical theory and computation.
2013
Academic Article
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Times cited: 91 -
How cholesterol tilt modulates the mechanical properties of saturated and unsaturated lipid membranes.
The journal of physical chemistry. B.
2013
Academic Article
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Times cited: 60 -
The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.
Chemistry and physics of lipids.
2013
Academic Article
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Times cited: 36 -
How sterol tilt regulates properties and organization of lipid membranes and membrane insertions.
Chemistry and physics of lipids.
2013
Review
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Times cited: 34 -
Phosphatidylinositol 4,5-biphosphate (PIP(2)) lipids regulate the phosphorylation of syntaxin N-terminus by modulating both its position and local structure.
Biochemistry.
2012
Academic Article
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Times cited: 25 -
Why GPCRs behave differently in cubic and lamellar lipidic mesophases.
Journal of the American Chemical Society.
2012
Academic Article
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Times cited: 43 -
Structural intermediates in a model of the substrate translocation path of the bacterial glutamate transporter homologue GltPh.
The journal of physical chemistry. B.
2012
Academic Article
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Times cited: 37 -
Ligand-dependent conformations and dynamics of the serotonin 5-HT(2A) receptor determine its activation and membrane-driven oligomerization properties.
PLoS computational biology.
2012
Academic Article
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Times cited: 92 -
Impact of sterol tilt on membrane bending rigidity in cholesterol and 7DHC-containing DMPC membranes.
Soft matter.
2011
Academic Article
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Times cited: 19 -
Quantitative modeling of membrane deformations by multihelical membrane proteins: application to G-protein coupled receptors.
Biophysical journal.
2011
Academic Article
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Times cited: 77 -
Cholesterol modulates the membrane effects and spatial organization of membrane-penetrating ligands for G-protein coupled receptors.
The journal of physical chemistry. B.
2010
Academic Article
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Times cited: 26 -
Cholesterol orientation and tilt modulus in DMPC bilayers.
The journal of physical chemistry. B.
2010
Academic Article
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Times cited: 84 -
GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base.
Bioinformatics (Oxford, England).
2010
Academic Article
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Times cited: 69 -
Modeling membrane deformations and lipid demixing upon protein-membrane interaction: the BAR dimer adsorption.
Biophysical journal.
2009
Academic Article
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Times cited: 56 -
Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations.
Proteins.
2009
Academic Article
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Times cited: 105 -
Protein diffusion on charged membranes: a dynamic mean-field model describes time evolution and lipid reorganization.
Biophysical journal.
2007
Academic Article
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Times cited: 46 -
Lateral organization in lipid-cholesterol mixed bilayers.
Biophysical journal.
2006
Academic Article
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Times cited: 47 -
Self-consistent mean-field model based on molecular dynamics: application to lipid-cholesterol bilayers.
The Journal of chemical physics.
2005
Academic Article
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Times cited: 36 -
Combined Monte Carlo and molecular dynamics simulation of hydrated 18:0 sphingomyelin-cholesterol lipid bilayers.
The Journal of chemical physics.
2004
Academic Article
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Times cited: 70