Entropy in molecular recognition by proteins
JA Caro, KW Harpole, V Kasinath… - Proceedings of the …, 2017 - National Acad Sciences
Molecular recognition by proteins is fundamental to molecular biology. Dissection of the
thermodynamic energy terms governing protein–ligand interactions has proven difficult, with …
thermodynamic energy terms governing protein–ligand interactions has proven difficult, with …
Measuring Dynamic and Kinetic Information in the Previously Inaccessible Supra-τc Window of Nanoseconds to Microseconds by Solution NMR Spectroscopy
Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool that has enabled
experimentalists to characterize molecular dynamics and kinetics spanning a wide range of …
experimentalists to characterize molecular dynamics and kinetics spanning a wide range of …
Flexibility and solvation of amyloid-β hydrophobic core
L Vugmeyster, MA Clark, IB Falconer… - Journal of Biological …, 2016 - ASBMB
Amyloid fibril deposits found in Alzheimer disease patients are composed of amyloid-β (Aβ)
protein forming a number of hydrophobic interfaces that are believed to be mostly rigid. We …
protein forming a number of hydrophobic interfaces that are believed to be mostly rigid. We …
Dynamic multidrug recognition by multidrug transcriptional repressor LmrR
K Takeuchi, Y Tokunaga, M Imai, H Takahashi… - Scientific reports, 2014 - nature.com
LmrR is a multidrug transcriptional repressor that controls the expression of a major
multidrug transporter, LmrCD, in Lactococcus lactis. However, the molecular mechanism by …
multidrug transporter, LmrCD, in Lactococcus lactis. However, the molecular mechanism by …
Probing methyl group dynamics in proteins by NMR cross-correlated dipolar relaxation and molecular dynamics simulations
AAAI Ali, F Hoffmann, LV Schäfer… - Journal of Chemical …, 2022 - ACS Publications
Nuclear magnetic resonance (NMR) spin relaxation is the most informative approach to
experimentally probe the internal dynamics of proteins on the picosecond to nanosecond …
experimentally probe the internal dynamics of proteins on the picosecond to nanosecond …
Functional role of solvent entropy and conformational entropy of metal binding in a dynamically driven allosteric system
DA Capdevila, KA Edmonds… - Journal of the …, 2018 - ACS Publications
Allostery is a regulatory phenomenon whereby ligand binding to one site influences the
binding of the same or a different ligand to another site on a macromolecule. The physical …
binding of the same or a different ligand to another site on a macromolecule. The physical …
Structural integrity of the A147T polymorph of mammalian TSPO
M Jaremko, Ł Jaremko, K Giller, S Becker… - …, 2015 - Wiley Online Library
Ligands of the transmembrane protein TSPO are used for imaging of brain inflammation, but
a common polymorphism in TSPO complicates their application to humans. Here we …
a common polymorphism in TSPO complicates their application to humans. Here we …
Enhancing NMR derived ensembles with kinetics on multiple timescales
Nuclear magnetic resonance (NMR) has the unique advantage of elucidating the structure
and dynamics of biomolecules in solution at physiological temperatures, where they are in …
and dynamics of biomolecules in solution at physiological temperatures, where they are in …
Optimal design of adaptively sampled NMR experiments for measurement of methyl group dynamics with application to a ribosome-nascent chain complex
NMR measurements of cross-correlated nuclear spin relaxation provide powerful probes of
polypeptide dynamics and rotational diffusion, free from contributions due to chemical …
polypeptide dynamics and rotational diffusion, free from contributions due to chemical …
Resolving overlapped signals with automated FitNMR analytical peak modeling
JA Dudley, S Park, ME MacDonald, E Fetene… - Journal of Magnetic …, 2020 - Elsevier
Nuclear magnetic resonance (NMR) is a valuable tool for determining the structures of
molecules and probing their dynamics. A longstanding problem facing both small-molecule …
molecules and probing their dynamics. A longstanding problem facing both small-molecule …