Mechanistic Insights into the Binding of Different Positron Emission Tomography Tracers to Chronic Traumatic Encephalopathy Tau Protofibrils.
暂无分享,去创建一个
Qingwen Zhang | Yunxiang Sun | Bote Qi | Yu Zou | Jingwang Tan | Meng Cao | Jinghan Lin
[1] Keith A. Johnson,et al. Associations between near end-of-life flortaucipir PET and postmortem CTE-related tau neuropathology in six former American football players , 2022, European Journal of Nuclear Medicine and Molecular Imaging.
[2] Qingwen Zhang,et al. Mechanistic insight into the disruption of Tau R3-R4 protofibrils by curcumin and epinephrine: an all-atom molecular dynamics study. , 2022, Physical Chemistry, Chemical Physics - PCCP.
[3] C. Olsen,et al. Chronic Traumatic Encephalopathy in the Brains of Military Personnel. , 2022, The New England journal of medicine.
[4] Yu Zou,et al. Unraveling the Influence of K280 Acetylation on the Conformational Features of Tau Core Fragment: A Molecular Dynamics Simulation Study , 2021, Frontiers in Molecular Biosciences.
[5] Kevin F. Bieniek,et al. Authors' Response. , 2021, Journal of neuropathology and experimental neurology.
[6] Guanghong Wei,et al. Molecular mechanisms of resveratrol and EGCG in the inhibition of Aβ42 aggregation and disruption of Aβ42 protofibril: similarities and differences. , 2021, Physical chemistry chemical physics : PCCP.
[7] Qingwen Zhang,et al. Mechanisms of melatonin binding and destabilizing the protofilament and filament of tau R3-R4 domains revealed by molecular dynamics simulation. , 2021, Physical chemistry chemical physics : PCCP.
[8] H. Ågren,et al. Dissecting the Binding Profile of PET Tracers to Corticobasal Degeneration Tau Fibrils , 2021, ACS chemical neuroscience.
[9] M. Jinzaki,et al. Evaluation of [18F]PI-2620, a second-generation selective tau tracer, for assessing four-repeat tauopathies , 2021, Brain communications.
[10] Jiehui Jiang,et al. Parametric Estimation of Reference Signal Intensity for Semi-Quantification of Tau Deposition: A Flortaucipir and [18F]-APN-1607 Study , 2021, Frontiers in Neuroscience.
[11] A. Nordberg,et al. Cryptic Sites in Tau Fibrils Explain the Preferential Binding of the AV-1451 PET Tracer toward Alzheimer’s Tauopathy , 2021, ACS chemical neuroscience.
[12] C. Chipot,et al. Cation-π interactions and their functional roles in membrane proteins. , 2021, Journal of molecular biology.
[13] R. Petersen,et al. National Institute of Neurological Disorders and Stroke Consensus Diagnostic Criteria for Traumatic Encephalopathy Syndrome , 2021, Neurology.
[14] A. Drzezga,et al. Clinical validity of second-generation tau PET tracers as biomarkers for Alzheimer’s disease in the context of a structured 5-phase development framework , 2021, European Journal of Nuclear Medicine and Molecular Imaging.
[15] W. Klunk,et al. Radiosynthesis, In Vitro and In Vivo Evaluation of [18F]CBD-2115 as a First-in-Class Radiotracer for Imaging 4R-Tauopathies. , 2021, ACS chemical neuroscience.
[16] M. Higuchi,et al. Pick’s Tau Fibril Shows Multiple Distinct PET Probe Binding Sites: Insights from Computational Modelling , 2020, International journal of molecular sciences.
[17] O. Hansson,et al. Optimized regional analysis to detect longitudinal 18F‐RO‐948 tau PET change in early AD , 2020 .
[18] B. Luan,et al. Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease. , 2020, Physical chemistry chemical physics : PCCP.
[19] Virginia M. Y. Lee,et al. High-Contrast In Vivo Imaging of Tau Pathologies in Alzheimer’s and Non-Alzheimer’s Disease Tauopathies , 2020, Neuron.
[20] Muhammad Naveed Iqbal Qureshi,et al. 18F-MK-6240 PET for early and late detection of neurofibrillary tangles. , 2020, Brain : a journal of neurology.
[21] F. Jessen,et al. Assessment of 18F-PI-2620 as a Biomarker in Progressive Supranuclear Palsy , 2020, JAMA neurology.
[22] Y. Guan,et al. Associations of [18F]-APN-1607 Tau PET Binding in the Brain of Alzheimer’s Disease Patients With Cognition and Glucose Metabolism , 2020, Frontiers in Neuroscience.
[23] Y. Guan,et al. Tau PET Imaging with [18F]PM-PBB3 in Frontotemporal Dementia with MAPT Mutation. , 2020, Journal of Alzheimer's disease : JAD.
[24] O. Hansson,et al. Diagnostic Performance of RO948 F 18 Tau Positron Emission Tomography in the Differentiation of Alzheimer Disease From Other Neurodegenerative Disorders , 2020, JAMA neurology.
[25] Ramesh Chandra,et al. Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures , 2020, Journal of biomolecular structure & dynamics.
[26] Val J Lowe,et al. Positron Emission Tomography Imaging With [18F]flortaucipir and Postmortem Assessment of Alzheimer Disease Neuropathologic Changes. , 2020, JAMA neurology.
[27] Özgür A. Onur,et al. Early-phase [18F]PI-2620 tau-PET imaging as a surrogate marker of neuronal injury , 2020, European Journal of Nuclear Medicine and Molecular Imaging.
[28] T. Yen,et al. Characterization of 18F-PM-PBB3 (18F-APN-1607) Uptake in the rTg4510 Mouse Model of Tauopathy , 2020, Molecules.
[29] H. Ågren,et al. Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils. , 2020, ACS chemical neuroscience.
[30] L. Grinberg,et al. Tau Positron Emission Tomographic Findings in a Former US Football Player With Pathologically Confirmed Chronic Traumatic Encephalopathy. , 2020, JAMA neurology.
[31] J. Seibyl,et al. Tau PET imaging with 18F-PI-2620 in Patients with Alzheimer Disease and Healthy Controls: A First-in-Humans Study , 2019, The Journal of Nuclear Medicine.
[32] B. Miller,et al. Tau PET and multimodal brain imaging in patients at risk for chronic traumatic encephalopathy , 2019, NeuroImage: Clinical.
[33] O. Hansson,et al. Head-to-head comparison of tau positron emission tomography tracers [18F]flortaucipir and [18F]RO948 , 2019, European Journal of Nuclear Medicine and Molecular Imaging.
[34] G. Kenttä,et al. Canadian Centre for Mental Health and Sport (CCMHS) Position Statement: Principles of Mental Health in Competitive and High-Performance Sport , 2019, Clinical journal of sport medicine : official journal of the Canadian Academy of Sport Medicine.
[35] M. Mintun,et al. Tau Positron‐Emission Tomography in Former National Football League Players , 2019, The New England journal of medicine.
[36] A. Murzin,et al. Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules , 2019, Nature.
[37] A. Nordberg,et al. Tau PET imaging in neurodegenerative tauopathies—still a challenge , 2019, Molecular Psychiatry.
[38] E. Chi,et al. Computational Study of the Driving Forces and Dynamics of Curcumin Binding to Amyloid-β Protofibrils. , 2019, The journal of physical chemistry. B.
[39] Hans Ågren,et al. Mechanistic Insight into the Binding Profile of DCVJ and α-Synuclein Fibril Revealed by Multiscale Simulations. , 2018, ACS chemical neuroscience.
[40] Stefano Moro,et al. Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview , 2018, Front. Pharmacol..
[41] N. Okamura,et al. The development and validation of tau PET tracers: current status and future directions , 2018, Clinical and Translational Imaging.
[42] H. Ågren,et al. Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling. , 2018, ACS chemical neuroscience.
[43] Guanghong Wei,et al. Orcein-Related Small Molecule O4 Destabilizes hIAPP Protofibrils by Interacting Mostly with the Amyloidogenic Core Region. , 2017, The journal of physical chemistry. B.
[44] Victor L Villemagne. Selective Tau Imaging: Der Stand der Dinge* , 2017, The Journal of Nuclear Medicine.
[45] Christine M Baugh,et al. Clinicopathological Evaluation of Chronic Traumatic Encephalopathy in Players of American Football , 2017, JAMA.
[46] Ruth Huey,et al. Computational protein–ligand docking and virtual drug screening with the AutoDock suite , 2016, Nature Protocols.
[47] Wayne A. Gordon,et al. The first NINDS/NIBIB consensus meeting to define neuropathological criteria for the diagnosis of chronic traumatic encephalopathy , 2015, Acta Neuropathologica.
[48] Keith A. Johnson,et al. Validating novel tau positron emission tomography tracer [F‐18]‐AV‐1451 (T807) on postmortem brain tissue , 2015, Annals of neurology.
[49] Berk Hess,et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers , 2015 .
[50] Guanghong Wei,et al. Atomic-level study of the effects of O4 molecules on the structural properties of protofibrillar Aβ trimer: β-sheet stabilization, salt bridge protection, and binding mechanism. , 2015, The journal of physical chemistry. B.
[51] Rajendra Kumar,et al. g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations , 2014, J. Chem. Inf. Model..
[52] Ann C. McKee,et al. Clinical presentation of chronic traumatic encephalopathy , 2013, Neurology.
[53] D. Dougherty. The cation-π interaction. , 2013, Accounts of chemical research.
[54] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[55] Piotr Cieplak,et al. The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building. , 2010, Physical chemistry chemical physics : PCCP.
[56] C. David Sherrill,et al. Potential energy curves for cation-pi interactions: off-axis configurations are also attractive. , 2009, The journal of physical chemistry. A.
[57] Arthur J. Olson,et al. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading , 2009, J. Comput. Chem..
[58] Shawn T. Brown,et al. Advances in methods and algorithms in a modern quantum chemistry program package. , 2006, Physical chemistry chemical physics : PCCP.
[59] Paul J van Maaren,et al. Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media. , 2006, The journal of physical chemistry. B.
[60] Gerrit Groenhof,et al. GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..
[61] Junmei Wang,et al. Development and testing of a general amber force field , 2004, J. Comput. Chem..
[62] Ray Luo,et al. Accelerated Poisson–Boltzmann calculations for static and dynamic systems , 2002, J. Comput. Chem..
[63] Edward F. Valeev,et al. Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer , 2002 .
[64] Ehud Gazit,et al. A possible role for π‐stacking in the self‐assembly of amyloid fibrils , 2002, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.
[65] J. Gallivan,et al. A Computational Study of Cation−π Interactions vs Salt Bridges in Aqueous Media: Implications for Protein Engineering , 2000 .
[66] Berk Hess,et al. LINCS: A linear constraint solver for molecular simulations , 1997, J. Comput. Chem..
[67] D. A. Dougherty,et al. The Cationminus signpi Interaction. , 1997, Chemical reviews.
[68] Mark S. Gordon,et al. General atomic and molecular electronic structure system , 1993, J. Comput. Chem..
[69] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[70] P. Kollman,et al. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models , 1992 .
[71] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[72] M. Parrinello,et al. Polymorphic transitions in single crystals: A new molecular dynamics method , 1981 .
[73] G. Small,et al. Postmortem 3-D brain hemisphere cortical tau and amyloid-β pathology mapping and quantification as a validation method of neuropathology imaging. , 2013, Journal of Alzheimer's disease : JAD.