Paramagnetic chemical probes for studying biological macromolecules
Paramagnetic chemical probes have been used in electron paramagnetic resonance (EPR)
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …
The role of protein loops and linkers in conformational dynamics and allostery
Proteins are dynamic entities that undergo a plethora of conformational changes that may
take place on a wide range of time scales. These changes can be as small as the rotation of …
take place on a wide range of time scales. These changes can be as small as the rotation of …
Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
Systematic validation of protein force fields against experimental data
Molecular dynamics simulations provide a vehicle for capturing the structures, motions, and
interactions of biological macromolecules in full atomic detail. The accuracy of such …
interactions of biological macromolecules in full atomic detail. The accuracy of such …
Collision cross sections for structural proteomics
Ion mobility mass spectrometry (IM-MS) allows the structural interrogation of biomolecules
by reporting their collision cross sections (CCSs). The major bottleneck for exploiting IM-MS …
by reporting their collision cross sections (CCSs). The major bottleneck for exploiting IM-MS …
[책][B] Nuclear spin relaxation in liquids: theory, experiments, and applications
J Kowalewski, L Maler - 2017 - taylorfrancis.com
Nuclear magnetic resonance (NMR) is widely used across many fields of science because
of the rich data it produces, and some of the most valuable data come from studies of …
of the rich data it produces, and some of the most valuable data come from studies of …
Protein dynamics and function from solution state NMR spectroscopy
It is well-established that dynamics are central to protein function; their importance is
implicitly acknowledged in the principles of the Monod, Wyman and Changeux model of …
implicitly acknowledged in the principles of the Monod, Wyman and Changeux model of …
Allostery without a conformational change? Revisiting the paradigm
Highlights•Classically, allostery induces a functional switch through a conformational
change.•Lately numerous studies concluded that allostery takes place through …
change.•Lately numerous studies concluded that allostery takes place through …
Large-Scale Conformational Changes and Protein Function: Breaking the in silico Barrier
L Orellana - Frontiers in molecular biosciences, 2019 - frontiersin.org
Large-scale conformational changes are essential to link protein structures with their
function at the cell and organism scale, but have been elusive both experimentally and …
function at the cell and organism scale, but have been elusive both experimentally and …
Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR
RB Fenwick, H van den Bedem… - Proceedings of the …, 2014 - National Acad Sciences
Detailed descriptions of atomic coordinates and motions are required for an understanding
of protein dynamics and their relation to molecular recognition, catalytic function, and …
of protein dynamics and their relation to molecular recognition, catalytic function, and …