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Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data

The Journal of chemical physics, 2023-05, Vol.158 (17)

2023

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Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

The Journal of chemical physics, 2014-05, Vol.140 (18), p.184201-184201

2014

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Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions

The Journal of chemical physics, 2023-06, Vol.158 (22)

2023

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Formation of ultracold 39K133Cs molecules via Feshbach optimized photoassociation

The Journal of chemical physics, 2020-05, Vol.152 (17), p.174307-174307

2020

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Hybrid methods for combined experimental and computational determination of protein structure

The Journal of chemical physics, 2020-12, Vol.153 (24), p.240901-240901

2020

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Advances in mechanical detection of magnetic resonance

The Journal of chemical physics, 2008-02, Vol.128 (5), p.052208-052208-19

2008

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Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin

The Journal of chemical physics, 2024-03, Vol.160 (10)

2024

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Cholesterol enhances surface water diffusion of phospholipid bilayers

The Journal of chemical physics, 2014-12, Vol.141 (22), p.22D513-22D513

2014

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The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

The Journal of chemical physics, 2015-06, Vol.142 (23), p.234201-234201

2015

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Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems

The Journal of chemical physics, 2022-03, Vol.156 (12), p.124112-124112

2022

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Low-temperature trapping of N2 reduction reaction intermediates in nitrogenase MoFe protein–CdS quantum dot complexes

The Journal of chemical physics, 2023-12, Vol.159 (23)

2023

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The combined force field-sampling problem in simulations of disordered amyloid-β peptides

The Journal of chemical physics, 2019-03, Vol.150 (10), p.104108-104108

2019

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Theoretical analysis of flow effects in spatially encoded diffusion NMR

The Journal of chemical physics, 2023-01, Vol.158 (1), p.014204-014204

2023

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Determining diffusion coefficients of ionic liquids by means of field cycling nuclear magnetic resonance relaxometry

The Journal of chemical physics, 2014-06, Vol.140 (24), p.244509-244509

2014

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How fast are the motions of tertiary-structure elements in proteins?

The Journal of chemical physics, 2020-10, Vol.153 (13), p.130902-130902

2020

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ReSpect: Relativistic spectroscopy DFT program package

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184101-184101

2020

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On the microscopic origins of relaxation processes in aqueous peptide solutions undergoing a glass transition

The Journal of chemical physics, 2020-06, Vol.152 (23), p.234503-234503

2020

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Impact of the current density on paramagnetic NMR properties

The Journal of chemical physics, 2022-07, Vol.157 (3), p.031102-031102

2022

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Scaled recoupling of chemical shift anisotropies at high magnetic fields under MAS with interspersed C-elements

The Journal of chemical physics, 2020-09, Vol.153 (10), p.104201-104201

2020

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Water accessibility in a membrane-inserting peptide comparing Overhauser DNP and pulse EPR methods

The Journal of chemical physics, 2016-05, Vol.144 (19), p.194201-194201

2016

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Shape resonance determined from angular distribution in D2 (v = 2, j = 2) + He → D2 (v = 2, j = 0) + He cold scattering

The Journal of chemical physics, 2021-03, Vol.154 (10), p.104309-104309

2021

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Investigation of near-surface defects of nanodiamonds by high-frequency EPR and DFT calculation

The Journal of chemical physics, 2019-04, Vol.150 (13), p.134702-134702

2019

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Temperature dependence of Fano resonances in CrPS4

The Journal of chemical physics, 2022-02, Vol.156 (5), p.054707-054707

2022

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Fluctuating exchange interactions enable quintet multiexciton formation in singlet fission

The Journal of chemical physics, 2019-10, Vol.151 (16), p.164104-164104

2019

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An analysis of double-quantum coherence ESR in an N-spin system: Analytical expressions and predictions

The Journal of chemical physics, 2024-04, Vol.160 (13)

2024

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Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data

Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions

Formation of ultracold 39K133Cs molecules via Feshbach optimized photoassociation

Hybrid methods for combined experimental and computational determination of protein structure

Advances in mechanical detection of magnetic resonance

Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin

Cholesterol enhances surface water diffusion of phospholipid bilayers

The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems

Low-temperature trapping of N2 reduction reaction intermediates in nitrogenase MoFe protein–CdS quantum dot complexes

The combined force field-sampling problem in simulations of disordered amyloid-β peptides

Theoretical analysis of flow effects in spatially encoded diffusion NMR

Determining diffusion coefficients of ionic liquids by means of field cycling nuclear magnetic resonance relaxometry

How fast are the motions of tertiary-structure elements in proteins?

ReSpect: Relativistic spectroscopy DFT program package

On the microscopic origins of relaxation processes in aqueous peptide solutions undergoing a glass transition

Impact of the current density on paramagnetic NMR properties

Scaled recoupling of chemical shift anisotropies at high magnetic fields under MAS with interspersed C-elements

Water accessibility in a membrane-inserting peptide comparing Overhauser DNP and pulse EPR methods

Shape resonance determined from angular distribution in D2 (v = 2, j = 2) + He → D2 (v = 2, j = 0) + He cold scattering

Investigation of near-surface defects of nanodiamonds by high-frequency EPR and DFT calculation

Temperature dependence of Fano resonances in CrPS4

Fluctuating exchange interactions enable quintet multiexciton formation in singlet fission

An analysis of double-quantum coherence ESR in an N-spin system: Analytical expressions and predictions

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