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Halle Research Group

Current members

Recent publications

Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems.
Z Chang & B Halle, J Chem Phys 147, 084203:1-16 (2017).

Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems.
Z Chang & B Halle, J Chem Phys 145, 034202:1-18 (2016).

Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.
Z Chang & B Halle, J Chem Phys 144, 084202:1-16 (2016).

Longitudinal relaxation in dipole-coupled homonuclear three-spin systems: Distinct correlations and odd spectral densities.
Z Chang & B Halle, J Chem Phys 143, 234201:1-22 (2015).

How amide hydrogens exchange in native proteins.
F Persson & B Halle, Proc Natl Acad Sci USA 112, 10383-10388 (2015). 

Time scales of conformational gating in a lipid-binding protein.
S Kaieda & B Halle, J Phys Chem B 119, 7957–7967 (2015).

Reply to comment on 'Hydration and mobility of trehalose in aqueous solution'.
B Halle, J Phys Chem B 118, 10806-10812 (2014).

Weak self-interactions of globular proteins studied by small-angle X-ray scattering and structure-based modeling.
S Kaieda, M Lund, T S Plivelic & B Halle, J Phys Chem B 118, 10111-10119 (2014).

Structure and kinetics of chemically cross-linked protein gels from small-angle X-ray scattering.
S Kaieda, T S Plivelic & B Halle, Phys Chem Chem Phys 16, 4002-4011 (2014).

Internal water and microsecond dynamics in myoglobin.
S Kaieda & B Halle, J Phys Chem B 117, 14676-14687 (2013).

Mobility of core water in Bacillus subtilis spores by 2H NMR.
S Kaieda, B Setlow, P Setlow & B Halle, Biophys J 105, 2016-2023 (2013).

Nuclear magnetic relaxation induced by exchange-mediated orientational randomization: Longitudinal relaxation dispersion for a dipole-coupled spin-1/2 pair.
Z Chang & B Halle, J Chem Phys 139, 144203:1-11 (2013).

Analysis of protein dynamics simulations by a stochastic point process approach.
B Halle & F Persson, J Chem Theory Comput 9, 2838-2848 (2013).

Transient access to the protein interior: Simulation versus NMR.
F Persson & B Halle, J Am Chem Soc 135, 8735-8748 (2013).

Hydration and mobility of trehalose in aqueous solution.
L R Winther, J Qvist & B Halle, J Phys Chem B 116, 9196-9207 (2012).

Nuclear magnetic relaxation induced by exchange-mediated orientational randomization: Longitudinal relaxation dispersion for spin I = 1.
T Nilsson & B Halle, J Chem Phys 137, 054503:1-15 (2012).

Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations.
J Qvist, C Mattea, Erik P Sunde & B Halle, J Chem Phys 136, 204505:1-16 (2012).

Hydration dynamics of a halophilic protein in folded and unfolded states.
J Qvist, G Ortega, X Tadeo, O Millet & B Halle, J Phys Chem B 116, 3436-3444 (2012).

Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.
J Qvist, H Schober & B Halle, J Chem Phys 134, 144508:1-20 (2011).

High water mobility on the ice-binding surface of a hyperactive antifreeze protein.
K Modig, J Qvist, C B Marshall, P L Davies & B Halle, Phys Chem Chem Phys 12, 10189-10197 (2010).

Mechanism of 1H-14N cross-relaxation in immobilized proteins.
E P Sunde & B Halle, J Magn Reson 203, 257-273 (2010).

Slow internal protein dynamics from water 1H magnetic relaxation dispersion.
E P Sunde & B Halle, J Am Chem Soc 131, 18214-18215 (2009).

The physical basis of model-free analysis of NMR relaxation data from proteins and complex fluids.
B Halle, J Chem Phys 131, 224507:1-22 (2009).

The physical state of water in bacterial spores.
E P Sunde, P Setlow, L Hederstedt & B Halle, Proc Natl Acad Sci USA 106, 19334-19339 (2009).

Does the dynamic Stokes shift report on slow protein hydration dynamics?
B Halle & L Nilsson, J Phys Chem B 113, 8210-8213 (2009).

Protein cold denaturation as seen from the solvent.
M Davidovic, C Mattea, J Qvist & B Halle, J Am Chem Soc 131, 1025-1036 (2009).

Time scales of water dynamics at biological interfaces: peptides, proteins and cells.
J Qvist, E Persson, C Mattea & B Halle, Faraday Discuss 141, 131-144 (2009).

Dynamics at the protein-water interface from 17O spin relaxation in deeply supercooled solutions.
C Mattea, J Qvist & B Halle, Biophys J 95, 2951-2963 (2008).

Internal sodium ions and water molecules in guanine quadruplexes: Magnetic relaxation dispersion studies of [d(G3T4G3)]2 and [d(G4T4G4)]2.
K Snoussi & B Halle, Biochemistry 47, 12219-12229 (2008).

A dry ligand-binding cavity in a solvated protein.
J Qvist, M Davidovic, D Hamelberg & B Halle, Proc Natl Acad Sci USA 105, 6296-6301 (2008).

Cell water dynamics on multiple time scales.
E Persson & B Halle, Proc Natl Acad Sci USA 105, 6266-6271 (2008).

Thermal signature of hydrophobic hydration dynamics.
J Qvist & B Halle, J Am Chem Soc 130, 10345-10353 (2008).

Nanosecond to microsecond protein dynamics probed by magnetic relaxation dispersion of buried water molecules.
E Persson & B Halle, J Am Chem Soc 130, 1774-1787 (2008).