[HTML][HTML] Paramagnetic NMR in solution and the solid state

AJ Pell, G Pintacuda, CP Grey - Progress in nuclear magnetic resonance …, 2019 - Elsevier
The field of paramagnetic NMR has expanded considerably in recent years. This review
addresses both the theoretical description of paramagnetic NMR, and the way in which it is …

Paramagnetic chemical probes for studying biological macromolecules

Q Miao, C Nitsche, H Orton, M Overhand… - Chemical …, 2022 - ACS Publications
Paramagnetic chemical probes have been used in electron paramagnetic resonance (EPR)
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …

Develo** a molecular dynamics force field for both folded and disordered protein states

P Robustelli, S Piana, DE Shaw - Proceedings of the National Academy of …, 2018 - pnas.org
Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural
dynamics of folded proteins and should be similarly applicable to disordered proteins and …

Structure determination of high-energy states in a dynamic protein ensemble

JB Stiller, R Otten, D Häussinger, PS Rieder… - Nature, 2022 - nature.com
Macromolecular function frequently requires that proteins change conformation into high-
energy states,,–. However, methods for solving the structures of these functionally essential …

Structural characterization of flexible proteins using small-angle X-ray scattering

P Bernadó, E Mylonas, MV Petoukhov… - Journal of the …, 2007 - ACS Publications
Structural analysis of flexible macromolecular systems such as intrinsically disordered or
multidomain proteins with flexible linkers is a difficult task as high-resolution techniques are …

Perspectives on NMR in drug discovery: a technique comes of age

M Pellecchia, I Bertini, D Cowburn, C Dalvit… - Nature reviews Drug …, 2008 - nature.com
In the past decade, the potential of harnessing the ability of nuclear magnetic resonance
(NMR) spectroscopy to monitor intermolecular interactions as a tool for drug discovery has …

Protein NMR using paramagnetic ions

G Otting - Annual review of biophysics, 2010 - annualreviews.org
Paramagnetic metal ions offer outstanding opportunities for protein studies by nuclear
magnetic resonance (NMR) spectroscopy. The paramagnetic effects manifested in the NMR …

Pseudocontact shifts in biomolecular NMR spectroscopy

T Müntener, D Joss, D Häussinger… - Chemical Reviews, 2022 - ACS Publications
Paramagnetic centers in biomolecules, such as specific metal ions that are bound to a
protein, affect the nuclei in their surrounding in various ways. One of these effects is the …

NMR spectroscopy of paramagnetic metalloproteins

I Bertini, C Luchinat, G Parigi, R Pierattelli - ChemBioChem, 2005 - Wiley Online Library
This article deals with the solution structure determination of paramagnetic metalloproteins
by NMR spectroscopy. These proteins were believed not to be suitable for NMR …