Publications by Daniel Abergel

Dissolution dynamic nuclear polarization of deuterated molecules enhanced by cross-polarization

Geoffrey Bodenhausen, Sami Jannin, Jonas Milani, Sina Marhabaie, Daniel Abergel, Estel Canet Martinez, Matthias Weller

We present novel means to hyperpolarize deuterium nuclei in (CD2)-C-13 groups at cryogenic temperatures. The method is based on cross-polarization from H-1 to C-13 and does not require any radio-frequency fields applied to the deuterium nuclei. After rapid ...

Amer Inst Physics2016

Toward Quantitative Measurements of Enzyme Kinetics by Dissolution Dynamic Nuclear Polarization

Geoffrey Bodenhausen, Sami Jannin, Aurélien Bornet, Jonas Milani, Daniel Abergel

Dissolution dynamic nuclear polarization (D-DNP) experiments enabled us to study the kinetics of the enzymatic phosphorylation reaction of glucose to form glucose-6-phosphate (G6P) by hexokinase (HK), with or without the presence of an excess of G6P, which ...

2014

Insights into internal dynamics of 6-phosphogluconolactonase from Trypanosoma brucei studied by nuclear magnetic resonance and molecular dynamics

Geoffrey Bodenhausen, Daniel Abergel

Nuclear magnetic resonance is used to investigate the backbone dynamics in 6-phosphogluconolactonase from Trypanosoma brucei (Tb6PGL) with (holo-) and without (apo-) 6-phosphogluconic acid as ligand. Relaxation data were analyzed using the model-free appro ...

2012

Predicting conformational entropy of bond vectors in proteins by networks of coupled rotators

Geoffrey Bodenhausen, Daniel Abergel

In this article, a formal expression for the conformational entropy of a bond vector in a protein is derived using the networks of coupled rotators model for the description of internal dynamics. Analytical relationships between NMR order parameters and co ...

American Institute of Physics2008

Predicting NMR relaxation rates in anisotropically tumbling proteins through networks of coupled rotators

Geoffrey Bodenhausen, Daniel Abergel

We show that the prediction of N-15 relaxation rates in proteins can be extended to systems with anisotropic global, rotational diffusion by using a network of coupled rotators (NCR), starting from a three-dimensional structure. The relaxation rates predic ...

Wiley-Blackwell2008

Networks of Coupled Rotators: Relationship between Structures and Internal Dynamics in Metal-Binding Proteins. Applications to apo- and holo-Calbindin

Geoffrey Bodenhausen, Daniel Abergel

2007

Determination of Dihedral psi Angles in Large Proteins by Combining NHN/CαHα Dipole/Dipole Cross Correlation and Chemical Shifts

Geoffrey Bodenhausen, Daniel Abergel

2006

Slow Backbone Dynamics of the C-Terminal Fragment of Human Centrin 2 in Complex with a Target Peptide Probed by Cross-Correlated Relaxation in Multiple-Quantum NMR Spectroscopy

Geoffrey Bodenhausen, Daniel Abergel

2006

Predicting internal protein dynamics from structures using coupled networks of hindered rotators

Geoffrey Bodenhausen, Daniel Abergel

Internal motions in proteins, such as oscillations of internuclear vectors u(NiHiN) of amide bonds about their equil. position, can be characterized by a local order parameter. This dynamic parameter can be detd. exptl. by measuring the longitudinal and tr ...

2005