An introduction to NMR-based approaches for measuring protein dynamics

IR Kleckner, MP Foster - Biochimica et Biophysica Acta (BBA)-Proteins and …, 2011 - Elsevier
Proteins are inherently flexible at ambient temperature. At equilibrium, they are
characterized by a set of conformations that undergo continuous exchange within a …

Principles governing the phase separation of multidomain proteins

P Mohanty, U Kapoor… - Biochemistry, 2022 - ACS Publications
A variety of membraneless organelles, often termed “biological condensates”, play an
important role in the regulation of cellular processes such as gene transcription, translation …

Theory, practice, and applications of paramagnetic relaxation enhancement for the characterization of transient low-population states of biological macromolecules …

GM Clore, J Iwahara - Chemical reviews, 2009 - ACS Publications
Understanding the function of biological macromolecules and their complexes at the
physicochemical level requires knowledge of both their structure and dynamics …

Perturbations of native membrane protein structure in alkyl phosphocholine detergents: a critical assessment of NMR and biophysical studies

C Chipot, F Dehez, JR Schnell, N Zitzmann… - Chemical …, 2018 - ACS Publications
Membrane proteins perform a host of vital cellular functions. Deciphering the molecular
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …

SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions

B Różycki, YC Kim, G Hummer - Structure, 2011 - cell.com
We developed and implemented an ensemble-refinement method to study dynamic
biomolecular assemblies with intrinsically disordered segments. Data from small angle X-ray …

Efficient determination of protein–protein standard binding free energies from first principles

JC Gumbart, B Roux, C Chipot - Journal of chemical theory and …, 2013 - ACS Publications
Characterizing protein–protein association quantitatively has been a long standing
challenge for computer simulations. Here, a theoretical framework is put forth that addresses …

Coarse-grained molecular simulations of large biomolecules

S Takada - Current opinion in structural biology, 2012 - Elsevier
Recently, we saw a dramatic increase in the number of researches that rely on coarse-
grained (CG) simulations for large biomolecules. Here, first, we briefly describe recently …

Molecular recognition and ligand association

R Baron, JA McCammon - Annual review of physical chemistry, 2013 - annualreviews.org
We review recent developments in our understanding of molecular recognition and ligand
association, focusing on two major viewpoints:(a) studies that highlight new physical insight …

Crystal structure and allosteric activation of protein kinase C βII

TA Leonard, B Różycki, LF Saidi, G Hummer, JH Hurley - Cell, 2011 - cell.com
Protein kinase C (PKC) isozymes are the paradigmatic effectors of lipid signaling. PKCs
translocate to cell membranes and are allosterically activated upon binding of the lipid …

[HTML][HTML] The courtship of proteins: understanding the encounter complex

M Ubbink - FEBS letters, 2009 - Elsevier
The formation of protein complexes involves an encounter complex, in which proteins show
few specific interactions and assume many orientations. Recent kinetic and structural …