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Author Details

Emad Tajkhorshid
University of Illinois at Urbana-Champaign
1993
275
65
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36229686Targeting lipid-protein interaction to treat Syk-mediated acute myeloid leukemia.Nat Chem Biol2023
38076911Topological Learning Approach to Characterizing Biological Membranes.bioRxiv2023
37506321VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations.J Chem Inf Model2023
37989735Myr-Arf1 conformational flexibility at the membrane surface sheds light on the interactions with ArfGAP ASAP1.Nat Commun2023
37938578Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.Nat Commun2023
38091976A Rigorous Framework for Calculating Protein-Protein Binding Affinities in Membranes.J Chem Theory Comput2023
36993754Molecular mechanisms of catalytic inhibition for active site mutations in glucose-6-phosphatase catalytic subunit 1 linked to glycogen storage disease.bioRxiv2023
37466499Quinoline Thiourea-Based Zinc Ionophores with Antibacterial Activity.J Med Chem2023
37436958Structures and membrane interactions of native serotonin transporter in complexes with psychostimulants.Proc Natl Acad Sci U S A2023
37398459Structure Reveals Homology in Elevator Transporters.bioRxiv2023
37398337Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.bioRxiv2023
36926696Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3.Biophys J2023
36580587Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.Proc Natl Acad Sci U S A2023
36711931Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.bioRxiv2023
36599844Tuning phenylalanine fluorination to assess aromatic contributions to protein function and stability in cells.Nat Commun2023
36484366Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms.EMBO J2023
35078036Anthracycline derivatives inhibit cardiac CYP2J2.J Inorg Biochem2022
35737823Posttranslational modifications optimize the ability of SARS-CoV-2 spike for effective interaction with host cell receptors.Proc Natl Acad Sci U S A2022
35440993Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins.Chem Sci2022
35853076Molecular View into Preferential Binding of the Factor VII Gla Domain to Phosphatidic Acid.Biochemistry2022
35421560Phthalate monoesters act through peroxisome proliferator-activated receptors in the mouse ovary.Reprod Toxicol2022
35621307py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.J Chem Theory Comput2022
37334141Experiences Porting NAMD to the Data Parallel C++ Programming Model.Int Workshop OpenCL2022
36473856Backbone amides are determinants of Cl<sup>-</sup> selectivity in CLC ion channels.Nat Commun2022
36371434Lipid-mediated prestin organization in outer hair cell membranes and its implications in sound amplification.Nat Commun2022
36224384Structures of the TMC-1 complex illuminate mechanosensory transduction.Nature2022
36055994Proton-driven alternating access in a spinster lipid transporter.Nat Commun2022
35192345Microscopic Characterization of the Chloride Permeation Pathway in the Human Excitatory Amino Acid Transporter 1 (EAAT1).ACS Chem Neurosci2022
35225279Use of Microscale Thermophoresis to Measure Protein-Lipid Interactions.J Vis Exp2022
35122790Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.J Biol Chem2022
34910495Assembly and Analysis of Cell-Scale Membrane Envelopes.J Chem Inf Model2022
35025510Anionic Lipids Confine Cytochrome <i>c</i><sub>2</sub> to the Surface of Bioenergetic Membranes without Compromising Its Interaction with Redox Partners.Biochemistry2022
35138832A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls.J Chem Theory Comput2022
35167492Ataxia-linked SLC1A3 mutations alter EAAT1 chloride channel activity and glial regulation of CNS function.J Clin Invest2022
35193963Role of internal loop dynamics in antibiotic permeability of outer membrane porins.Proc Natl Acad Sci U S A2022
35104125Membrane Mixer: A Toolkit for Efficient Shuffling of Lipids in Heterogeneous Biological Membranes.J Chem Inf Model2022
33159693Conformational changes in the nucleotide-binding domains of P-glycoprotein induced by ATP hydrolysis.FEBS Lett2021
36573923Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus.Proc UrgentHPC 2021 (2021)2021
35874311CryoFold: determining protein structures and data-guided ensembles from cryo-EM density maps.Matter2021
33597752Glutamate transporters have a chloride channel with two hydrophobic gates.Nature2021
33568652Anti-inflammatory dopamine- and serotonin-based endocannabinoid epoxides reciprocally regulate cannabinoid receptors and the TRPV1 channel.Nat Commun2021
33846594Structural insights into photosystem II assembly.Nat Plants2021
33675757Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane.Biophys J2021
33588213Mechanical properties of ester- and ether-DPhPC bilayers: A molecular dynamics study.J Mech Behav Biomed Mater2021
33633837Carbon dioxide transport across membranes.Interface Focus2021
33722022Classical molecular dynamics.J Chem Phys2021
34909143Rationalizing the generation of broad spectrum antibiotics with the addition of a positive charge.Chem Sci2021
34465620Molecular mechanism of capsid disassembly in hepatitis B virus.Proc Natl Acad Sci U S A2021
34491040Differential Interactions of Selected Phytocannabinoids with Human CYP2D6 Polymorphisms.Biochemistry2021
34566705Editorial: Mitochondrial Exchangers and Transporters in Cell Survival and Death.Front Physiol2021
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Collaborators

James C Gumbart
Georgia Institute of Technology
Co-authored papers 11
Patrick R Griffin
The Scripps Research Institute
Co-authored papers 3
Argyris Politis
King's College London
Co-authored papers 3
Michael C Wiener
University of Virginia
Co-authored papers 2
Yang Shen
The Second Affiliated Hospital of Nanchang University
Co-authored papers 2
Paul J Hergenrother
University of Illinois at Urbana-Champaign
Co-authored papers 2
Robert Kaptein
Utrecht University
Co-authored papers 2
Deborah E Leckband
Co-authored papers 2
Nicolai V Bovin
Co-authored papers 2
Robert D Skeel
Co-authored papers 2
David A Case
Rutgers University
Co-authored papers 1
Alexander Leitner
ETH Zurich
Co-authored papers 1
Torsten Schwede
University of Basel
Co-authored papers 1
Stefan Bohn
Technical University Darmstadt
Co-authored papers 1
Mostafa Karimi
Texas A&M University, College Station
Co-authored papers 1
Michael G Malkowski
Jacobs School of Medicine and Biomedical Sciences, University of Buffalo
Co-authored papers 1
Gaetano T Montelione
Rensselaer Polytechnic Institute
Co-authored papers 1
Ian A Wilson
The Scripps Research Institute, USA The Skaggs Institute for Chemical Biology
Co-authored papers 1
Rommie E Amaro
University of California
Co-authored papers 1
Alasdair C Steven
National Institutes of Health
Co-authored papers 1
Juri Rappsilber
Institute for Biotechnology, Technical University Berlin
Co-authored papers 1
Jill Trewhella
The University of Sydney
Co-authored papers 1
Bridget Carragher
Columbia University
Co-authored papers 1
Christian A Hanke
Heinrich Heine University Dusseldorf
Co-authored papers 1
Kate L White
Lawrence Berkeley National Laboratory
Co-authored papers 1
Gregory A Voth
Co-authored papers 1
Thomas D Goddard
Department of Pharmaceutical Chemistry, University of California San Francisco
Co-authored papers 1
Myles Brown
Co-authored papers 1
Martin J Humphries
University of Manchester
Co-authored papers 1
Larry J W Miercke
University of California San Francisco
Co-authored papers 1
Release 1.2