Exploring free-energy landscapes of intrinsically disordered proteins at atomic resolution using NMR spectroscopy

MR Jensen, M Zweckstetter, J Huang… - Chemical …, 2014 - ACS Publications
The last 15 years have seen a paradigm shift in our understanding of protein biochemistry,
with the realization that an unexpectedly high fraction of the human genome codes for …

The magic of bicelles lights up membrane protein structure

UHN Dürr, M Gildenberg, A Ramamoorthy - Chemical reviews, 2012 - ACS Publications
Biological membranes and membrane proteins, responsible for numerous exciting
biological processes, present one of the paramount challenges in biophysics today …

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

P Robustelli, S Piana, DE Shaw - Proceedings of the …, 2018 - National Acad Sciences
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 …

Water dispersion interactions strongly influence simulated structural properties of disordered protein states

S Piana, AG Donchev, P Robustelli… - The journal of physical …, 2015 - ACS Publications
Many proteins can be partially or completely disordered under physiological conditions.
Structural characterization of these disordered states using experimental methods can be …

AMOEBA polarizable atomic multipole force field for nucleic acids

C Zhang, C Lu, Z Jing, C Wu, JP Piquemal… - Journal of chemical …, 2018 - ACS Publications
The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence
and electrostatic parameters were determined from high-level quantum mechanical data …

Global structure of the intrinsically disordered protein tau emerges from its local structure

LS Stelzl, LM Pietrek, A Holla, J Oroz, M Sikora… - Jacs Au, 2022 - ACS Publications
The paradigmatic disordered protein tau plays an important role in neuronal function and
neurodegenerative diseases. To disentangle the factors controlling the balance between …

Structure and mechanism of the M2 proton channel of influenza A virus

JR Schnell, JJ Chou - Nature, 2008 - nature.com
The integral membrane protein M2 of influenza virus forms pH-gated proton channels in the
viral lipid envelope. The low pH of an endosome activates the M2 channel before …

Flexible-meccano: a tool for the generation of explicit ensemble descriptions of intrinsically disordered proteins and their associated experimental observables

V Ozenne, F Bauer, L Salmon, J Huang… - …, 2012 - academic.oup.com
Abstract Motivation: Intrinsically disordered proteins (IDPs) represent a significant fraction of
the human proteome. The classical structure function paradigm that has successfully …

Protein structure determination from NMR chemical shifts

A Cavalli, X Salvatella, CM Dobson… - Proceedings of the …, 2007 - National Acad Sciences
NMR spectroscopy plays a major role in the determination of the structures and dynamics of
proteins and other biological macromolecules. Chemical shifts are the most readily and …

Mitochondrial uncoupling protein 2 structure determined by NMR molecular fragment searching

MJ Berardi, WM Shih, SC Harrison, JJ Chou - Nature, 2011 - nature.com
Abstract Mitochondrial uncoupling protein 2 (UCP2) is an integral membrane protein in the
mitochondrial anion carrier protein family, the members of which facilitate the transport of …