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SMART: A new implementation of Schwarzschild’s Orbit Superposition technique for triaxial galaxies and its application to an N-body merger simulation

Monthly notices of the Royal Astronomical Society, 2021-01

2021

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Thermal breaking of spanning water networks in the hydration shell of proteins

The Journal of chemical physics, 2005-12, Vol.123 (22), p.224905-224905

2005

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Thermal expansivity of amyloid beta(16-22) peptides and their aggregates in water

Physical chemistry chemical physics : PCCP, 2009-07, Vol.11 (25), p.5035-5040

2009

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Thermal expansivity of amyloid β16―22 peptides and their aggregates in water

Physical chemistry chemical physics : PCCP, 2009, Vol.11 (25), p.5035-5040

2009

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Anomalous diffusion of ions at the surface of hydrated DNA molecule

Europhysics letters, 2008-05, Vol.82 (4), p.46002-p1-46002-p5

2008

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A web portal for hydrodynamical, cosmological simulations

Astronomy and computing, 2017-07, Vol.20, p.52-67

2017

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Intrinsic thermal expansivity and hydrational properties of amyloid peptide Aβ42 in liquid water

The Journal of chemical physics, 2008-11, Vol.129 (19)

2008

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Percolation transition of hydration water : From planar hydrophilic surfaces to proteins

Physical review letters, 2005-12, Vol.95 (24), p.247802.1-247802.4, Article 247802

2005

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Solubility of simple, nonpolar compounds in TIP4P-Ew

The Journal of chemical physics, 2006-01, Vol.124 (1), p.016102-016102-2

2006

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Intrinsic thermal expansivity and hydrational properties of amyloid peptide A β 42 in liquid water

The Journal of chemical physics, 2008-11, Vol.129 (19), p.195101-195101-11

2008

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Thermal breaking of spanning water networks in the hydration shellof proteins

The Journal of chemical physics, 2005-12, Vol.123 (22), p.224905-224905-10

2005

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Intrinsic thermal expansivity and hydrational properties of amyloid peptide Abeta42 in liquid water

The Journal of chemical physics, 2008-11, Vol.129 (19), p.195101-195101

2008

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An impulsive stimulated scattering study of surface acoustic waves under high pressure

Journal of luminescence, 2004-05, Vol.107 (1), p.359-368

2004

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Influence of the exchange screening parameter on the performance of screened hybrid functionals

The Journal of chemical physics, 2006-12, Vol.125 (22), p.224106-224106

2006

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Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals

The Journal of chemical physics, 2006-08, Vol.125 (7), p.074106-074106

2006

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Hybrid functionals with local range separation

The Journal of chemical physics, 2008-09, Vol.129 (12), p.124103-124103-7

2008

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Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach

Molecular physics, 2017-11, Vol.115 (21-22), p.2813-2822

2017

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Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

The Journal of chemical physics, 2008-09, Vol.129 (12), p.124110-124110-9

2008

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Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2014-04, Vol.16 (13), p.6189-6198

2014

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QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients

The Journal of chemical physics, 2011-07, Vol.135 (1), p.014105-014105-13

2011

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Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics studyElectronic supplementary information (ESI) available: Appendix on the choice of the Cartesian coordinate system with two Fig. S1 and S2 as well as Table S1 with neck linker displacements. See DOI: 10.1039/c3cp53367k

2014-03

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Temperature-induced conformational transition of a model elastin-like peptide GVG(VPGVG)(3) in water

Biomacromolecules, 2007-07, Vol.8 (7), p.2196-2202

2007

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Temperature-Induced Conformational Transition of a Model Elastin-like Peptide GVG(VPGVG)3 in Water

Biomacromolecules, 2007-07, Vol.8 (7), p.2196-2202

2007

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Ion Dynamics and Water Percolation Effects in DNA Polymorphism

Journal of the American Chemical Society, 2008-01, Vol.130 (1), p.121-131

2008

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Water Clustering and Percolation in Low Hydration DNA Shells

The journal of physical chemistry. B, 2007-03, Vol.111 (12), p.3258-3266

2007

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SMART: A new implementation of Schwarzschild’s Orbit Superposition technique for triaxial galaxies and its application to an N-body merger simulation

Thermal breaking of spanning water networks in the hydration shell of proteins

Thermal expansivity of amyloid beta(16-22) peptides and their aggregates in water

Thermal expansivity of amyloid β16―22 peptides and their aggregates in water

Anomalous diffusion of ions at the surface of hydrated DNA molecule

A web portal for hydrodynamical, cosmological simulations

Intrinsic thermal expansivity and hydrational properties of amyloid peptide Aβ42 in liquid water

Percolation transition of hydration water : From planar hydrophilic surfaces to proteins

Solubility of simple, nonpolar compounds in TIP4P-Ew

Intrinsic thermal expansivity and hydrational properties of amyloid peptide A β 42 in liquid water

Thermal breaking of spanning water networks in the hydration shellof proteins

Intrinsic thermal expansivity and hydrational properties of amyloid peptide Abeta42 in liquid water

An impulsive stimulated scattering study of surface acoustic waves under high pressure

Influence of the exchange screening parameter on the performance of screened hybrid functionals

Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals

Hybrid functionals with local range separation

Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach

Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics study

QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients

Allosteric control of kinesin's motor domain by tubulin: a molecular dynamics studyElectronic supplementary information (ESI) available: Appendix on the choice of the Cartesian coordinate system with two Fig. S1 and S2 as well as Table S1 with neck linker displacements. See DOI: 10.1039/c3cp53367k

Temperature-induced conformational transition of a model elastin-like peptide GVG(VPGVG)(3) in water

Temperature-Induced Conformational Transition of a Model Elastin-like Peptide GVG(VPGVG)3 in Water

Ion Dynamics and Water Percolation Effects in DNA Polymorphism

Water Clustering and Percolation in Low Hydration DNA Shells

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