Cargando…

Nuclear magnetic resonance free ligand conformations and atomic resolution dynamics

Knowledge of free ligand conformational preferences (energy minima) and conformational dynamics (rotational energy barriers) of small molecules in solution can guide drug design hypotheses and help rank ideas to bias syntheses towards more active compounds. Visualization of conformational exchange d...

Descripción completa

Detalles Bibliográficos
Autores principales:	Balazs, Amber Y. S., Davies, Nichola L., Longmire, David, Packer, Martin J., Chiarparin, Elisabetta
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Copernicus GmbH 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10539760/ https://www.ncbi.nlm.nih.gov/pubmed/37904764 http://dx.doi.org/10.5194/mr-2-489-2021

Ejemplares similares

Quantification of free ligand conformational preferences by NMR and their relationship to the bioactive conformation()
por: Blundell, Charles D., et al.
Publicado: (2013)

High-resolution nuclear magnetic resonance
por: Pople, John Anthony, et al.
Publicado: (1959)

Conformational Dynamics of a Ligand-Free Adenylate Kinase
por: Song, Hyun Deok, et al.
Publicado: (2013)

Conformational Conversion during Amyloid Formation at Atomic Resolution
por: Eichner, Timo, et al.
Publicado: (2011)

Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution
por: Gross, Simon, et al.
Publicado: (2016)

Atomic resolution electron microscopy in a magnetic field free environment
por: Shibata, N., et al.
Publicado: (2019)

Relating Conformational Equilibria to Conformer‐Specific Lipophilicities: New Opportunities in Drug Discovery
por: Linclau, Bruno, et al.
Publicado: (2021)

Hybrid-state free precession in nuclear magnetic resonance
por: Assländer, Jakob, et al.
Publicado: (2019)

Microwave-free nuclear magnetic resonance at molecular scales
por: Wood, James D. A., et al.
Publicado: (2017)

Corrigendum: Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution
por: Gross, Simon, et al.
Publicado: (2017)

Enhanced spatial resolution in magnetic resonance imaging by dynamic nuclear polarization at 5 K
por: Chen, Hsueh-Ying, et al.
Publicado: (2022)

Investigating Protein–Ligand Interactions by Solution Nuclear Magnetic Resonance Spectroscopy
por: Becker, Walter, et al.
Publicado: (2018)

Detection of substrate-dependent conformational changes in the P450 fold by nuclear magnetic resonance
por: Colthart, Allison M., et al.
Publicado: (2016)

Magnetic measurements with atomic-plane resolution
por: Rusz, Ján, et al.
Publicado: (2016)

Exploring Weak Ligand–Protein Interactions by Long-Lived NMR States: Improved Contrast in Fragment-Based Drug Screening**
por: Buratto, Roberto, et al.
Publicado: (2014)

ClustENMD: efficient sampling of biomolecular conformational space at atomic resolution
por: Kaynak, Burak T, et al.
Publicado: (2021)

Dynamic nuclear magnetic resonance spectroscopy
por: Jackman, Lloyd
Publicado: (2012)

High-resolution proton nuclear magnetic resonance: application to the study of leukaemic lymphocytes.
por: Mountford, C. E., et al.
Publicado: (1980)

A Novel Trans Conformation of Ligand-Free Calmodulin
por: Kumar, Veerendra, et al.
Publicado: (2013)

Unravelling Conformational Aspects of Milk Protein Structure—Contributions from Nuclear Magnetic Resonance Studies
por: Markoska, Tatijana, et al.
Publicado: (2020)

An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of α(1)-antitrypsin upon ligand binding
por: Nyon, Mun Peak, et al.
Publicado: (2015)

Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance
por: Glantz-Gashai, Yitav, et al.
Publicado: (2017)

Erratum: Magnetic measurements with atomic-plane resolution
por: Rusz, Ján, et al.
Publicado: (2016)

Analysis of protein–ligand interactions from titrations and nuclear magnetic resonance relaxation dispersions
por: Björklund, Emil, et al.
Publicado: (2021)

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
por: Loquet, Antoine, et al.
Publicado: (2017)

Nuclear magnetic resonance
por: Andrew, E.R
Publicado: (1958)

In-Cell Quantification of Drugs by Magic-Angle Spinning Dynamic Nuclear Polarization NMR
por: Bertarello, Andrea, et al.
Publicado: (2022)

Amyloids in solid-state nuclear magnetic resonance: potential causes of the usually low resolution
por: Espargaró, Alba, et al.
Publicado: (2015)

Spin dynamics: basics of nuclear magnetic resonance
por: Levitt, Malcolm H
Publicado: (2001)

Spin dynamics: basics of nuclear magnetic resonance
por: Levitt, Malcolm H
Publicado: (2008)

The Ensemble of Conformations of Antifreeze Glycoproteins (AFGP8): A Study Using Nuclear Magnetic Resonance Spectroscopy
por: Her, Cheenou, et al.
Publicado: (2019)

Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals
por: Ito, Shinji, et al.
Publicado: (2016)

Nuclear magnetic resonance and relaxation
por: Cowan, B. P., 1951-
Publicado: (1997)

Nuclear magnetic resonance in solids /
Publicado: (1977)

Nuclear magnetic resonance data
por: Gupta, R R, et al.
Publicado: (2005)

Nuclear magnetic resonance data
por: Gupta, R R, et al.
Publicado: (2006)

Nuclear magnetic resonance data
por: Gupta, R R, et al.
Publicado: (2004)

Nuclear magnetic resonance data
por: Gupta, R, et al.
Publicado: (2002)

Nuclear magnetic resonance data
por: Gupta, R R, et al.
Publicado: (2008)

Nuclear magnetic resonance data
por: Gupta, R., et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_r8thofq67gepasmfkruclsatbn