Cargando…

An improved, time-efficient approach to extract accurate distance restraints for NMR(2) structure calculation

Exact nuclear Overhauser enhancement (eNOE) yields highly accurate, ensemble averaged [Formula: see text] H– [Formula: see text] H distance restraints with an accuracy of up to 0.1 Å for the multi-state structure determination of proteins as well as for nuclear magnetic resonance molecular replaceme...

Descripción completa

Detalles Bibliográficos
Autores principales:	Pokharna, Aditya, Torres, Felix, Kadavath, Harindranath, Orts, Julien, Riek, Roland
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Copernicus GmbH 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10539809/ https://www.ncbi.nlm.nih.gov/pubmed/37904864 http://dx.doi.org/10.5194/mr-3-137-2022

Ejemplares similares

Optimization and validation of multi-state NMR protein structures using structural correlations
por: Ashkinadze, Dzmitry, et al.
Publicado: (2022)

Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR
por: Torres, Felix, et al.
Publicado: (2023)

Multi‐Dimensional Structure and Dynamics Landscape of Proteins in Mammalian Cells Revealed by In‐Cell NMR
por: Kadavath, Harindranath, et al.
Publicado: (2022)

Atomic resolution protein allostery from the multi-state structure of a PDZ domain
por: Ashkinadze, Dzmitry, et al.
Publicado: (2022)

Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression
por: Gerez, Juan A., et al.
Publicado: (2022)

A Benchmark Study of Protein–Fragment Complex Structure Calculations with NMR(2)
por: Torres, Felix, et al.
Publicado: (2023)

Quenched hydrogen-deuterium exchange NMR of a disease-relevant Aβ(1-42) amyloid polymorph
por: Wälti, Marielle Aulikki, et al.
Publicado: (2017)

RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology
por: Ries, Benjamin, et al.
Publicado: (2022)

Simulation of Reversible Protein–Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints
por: Perthold, Jan Walther, et al.
Publicado: (2017)

Protein–fragment complex structures derived by NMR molecular replacement
por: Torres, Felix, et al.
Publicado: (2020)

NMR Exchange Format: a unified and open standard for representation of NMR restraint data
por: Gutmanas, Aleksandras, et al.
Publicado: (2015)

Accurate geometrical restraints for Watson–Crick base pairs
por: Gilski, Miroslaw, et al.
Publicado: (2019)

NMRtist: an online platform for automated biomolecular NMR spectra analysis
por: Klukowski, Piotr, et al.
Publicado: (2023)

Comparison of Receptor–Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations
por: Clark, Finlay, et al.
Publicado: (2023)

NOE distance and dihedral angle restraints to calculate the solution structure of the NDH-1 complex subunit CupS from Thermosynechococcus elongatus
por: Korste, Annika, et al.
Publicado: (2015)

Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction
por: Klukowski, Piotr, et al.
Publicado: (2023)

Accurate Extraction of Nanometer Distances in Multimers by Pulse EPR
por: Valera, Silvia, et al.
Publicado: (2016)

Exploring RNA conformational space under sparse distance restraints
por: Taylor, William R., et al.
Publicado: (2017)

Chemical shift transfer: an effective strategy for protein NMR assignment with ARTINA
por: Wetton, Henry, et al.
Publicado: (2023)

Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA
por: Klukowski, Piotr, et al.
Publicado: (2022)

Efficient determination of accurate atomic polarizabilities for polarizeable embedding calculations
por: Schröder, Heiner, et al.
Publicado: (2016)

Accurate heteronuclear distance measurements at all magic-angle spinning frequencies in solid-state NMR spectroscopy
por: Liang, Lixin, et al.
Publicado: (2021)

Disease‐Associated Tau Phosphorylation Hinders Tubulin Assembly within Tau Condensates
por: Savastano, Adriana, et al.
Publicado: (2020)

Restraint and Non-Restraint
Publicado: (1873)

Multivalent cross-linking of actin filaments and microtubules through the microtubule-associated protein Tau
por: Cabrales Fontela, Yunior, et al.
Publicado: (2017)

The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries
por: Doreleijers, Jurgen F., et al.
Publicado: (2009)

An Energy-Efficient Strategy for Accurate Distance Estimation in Wireless Sensor Networks
por: Tarrío, Paula, et al.
Publicado: (2012)

Molecular Dynamics Simulations of the Cardiac Troponin Complex Performed with FRET Distances as Restraints
por: Jayasundar, Jayant James, et al.
Publicado: (2014)

Assignment of aromatic side-chain spins and characterization of their distance restraints at fast MAS
por: Ahlawat, Sahil, et al.
Publicado: (2022)

NMR spectroscopic and analytical ultracentrifuge analysis of membrane protein detergent complexes
por: Maslennikov, Innokentiy, et al.
Publicado: (2007)

Chemical shifts-based similarity restraints improve accuracy of RNA structures determined via NMR
por: Lawrence, Chad, et al.
Publicado: (2020)

Accurate and Efficient Spin–Phonon Coupling and Spin Dynamics Calculations for Molecular Solids
por: Nabi, Rizwan, et al.
Publicado: (2023)

Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints
por: del Alamo, Diego, et al.
Publicado: (2021)

NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24
por: Torres, Felix, et al.
Publicado: (2022)

Detergent/Nanodisc Screening for High-Resolution NMR Studies of an Integral Membrane Protein Containing a Cytoplasmic Domain
por: Tzitzilonis, Christos, et al.
Publicado: (2013)

An NMR-based scoring function improves the accuracy of binding pose predictions by docking by two orders of magnitude
por: Orts, Julien, et al.
Publicado: (2011)

NMR-Based Configurational Assignments of Natural Products: Gibbs Sampling and Bayesian Inference Using Floating Chirality Distance Geometry Calculations
por: Immel, Stefan, et al.
Publicado: (2021)

Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
por: Vögeli, Beat, et al.
Publicado: (2015)

A primer of NMR theory: with calculations in Mathematica
por: Benesi, Alan J
Publicado: (2015)

Dynamic Responses of Female Volunteers in Rear Impact Sled Tests at Two Head Restraint Distances
por: Carlsson, Anna, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_uve1p7snqme93bsa5qu14apski