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Konrad Hinsen

28
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Publications

"gerald-kneller"
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Memory effects in a random walk description of protein structure ensembles

Gerald R. Kneller , Konrad Hinsen
Journal of Chemical Physics, 2019, 150 (6), pp.064911. ⟨10.1063/1.5054887⟩
Article dans une revue hal-02117662v1

Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories

Konrad Hinsen , Gérald Kneller
Journal of Chemical Physics, 2016, 145 (15), pp.151101-151106. ⟨10.1063/1.4965881⟩
Article dans une revue hal-02154066v1

Protein secondary-structure description with a coarse-grained model

Gerald Kneller , Konrad Hinsen
Acta crystallographica Section D : Structural biology [1993-..], 2015, 71 (7), pp.1411-1422. ⟨10.1107/s1399004715007191⟩
Article dans une revue hal-02072279v1

Model-free simulation approach to molecular diffusion tensors

Guillaume Chevrot , Konrad Hinsen , Gerald Kneller
Journal of Chemical Physics, 2013, 139 (15), pp.154110. ⟨10.1063/1.4823996⟩
Article dans une revue hal-02070748v1

A comparison of reduced coordinate sets for describing protein structure

Konrad Hinsen , Shuangwei Hu , Gerald R. Kneller , Antti J. Niemi
Journal of Chemical Physics, 2013, 139 (12), pp.124115. ⟨10.1063/1.4821598⟩
Article dans une revue hal-01528424v1

nMoldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations.

Konrad Hinsen , Eric Pellegrini , Sławomir Stachura , Gerald R Kneller
Journal of Computational Chemistry, 2012, 33 (25), pp.2043-2048. ⟨10.1002/jcc.23035⟩
Article dans une revue hal-00721865v1

Communication: a minimal model for the diffusion-relaxation backbone dynamics of proteins.

Gerald R Kneller , Konrad Hinsen , Paolo Calligari
Journal of Chemical Physics, 2012, 136 (19), pp.191101. ⟨10.1063/1.4718380⟩
Article dans une revue hal-00726225v1

Least constraint approach to the extraction of internal motions from molecular dynamics trajectories of flexible macromolecules.

Guillaume Chevrot , Paolo Calligari , Konrad Hinsen , Gerald R Kneller
Journal of Chemical Physics, 2011, 135 (8), pp.084110. ⟨10.1063/1.3626275⟩
Article dans une revue hal-00720598v1

nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions

Vania Calandrini , E. Pellegrini , Paolo Calligari , Konrad Hinsen , Gerald R. Kneller
Collection SFN, 2011, 12, pp.201-232. ⟨10.1051/sfn/201112010⟩
Article dans une revue hal-00720549v1

Quantitative model for the heterogeneity of atomic position fluctuations in proteins: A simulation study

Gerald R. Kneller , Konrad Hinsen
Journal of Chemical Physics, 2009, 131 (4), pp.045104. ⟨10.1063/1.3170941⟩
Article dans une revue hal-00522467v1

Solvent effects in the slow dynamics of proteins

Konrad Hinsen , Gérald Kneller
Proteins - Structure, Function and Bioinformatics, 2008, 70 (4), pp.1235-1242. ⟨10.1002/prot.21655⟩
Article dans une revue hal-00176279v1

Scaling laws and memory effects in the dynamics of liquids and proteins

Gerald R. Kneller , Konrad Hinsen , Godehard Sutmann , Vania Calandrini
Physics of Particles and Nuclei Letters / PisВ'ma v Zhurnal Fizika Elementarnykh Chastits i Atomnogo Yadra, 2008, 5 (3), pp.189-195. ⟨10.1134/S1547477108030114⟩
Article dans une revue hal-00518138v1

Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering

V. Calandrini , V. Hamon , K. Hinsen , P. Calligari , M.-C. Bellissent-Funel
Chemical Physics, 2008, 345 (2-3), pp.289-297. ⟨10.1016/j.chemphys.2007.07.018⟩
Article dans une revue hal-00408024v1
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Simulation studies of structural changes and relaxation processes in lysozyme under pressure

Véronique Hamon , Paolo Calligari , Konrad Hinsen , Gerald R. Kneller
Journal of Non-Crystalline Solids, 2006, 352 (42-49), pp.4417-4423. ⟨10.1016/j.jnoncrysol.2006.01.141⟩
Article dans une revue hal-00388010v1

Fractional Brownian dynamics in proteins

Gerald Kneller , Konrad Hinsen
Journal of Chemical Physics, 2004, 121, pp.10278. ⟨10.1063/1.1806134⟩
Article dans une revue hal-00015422v1

n Moldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations

T. Róg , K. Murzyn , Konrad Hinsen , G. Kneller
Journal of Computational Chemistry, 2003, 24 (5), pp.657-667. ⟨10.1002/jcc.10243⟩
Article dans une revue hal-02154080v1

Mass and size effects on the memory function of tracer particles

G. Kneller , Konrad Hinsen , G. Sutmann
Journal of Chemical Physics, 2003, 118 (12), pp.5283-5286. ⟨10.1063/1.1562620⟩
Article dans une revue hal-02154086v1

Liquid-like and solid-like motions in proteins

K. Hinsen , A.J. Petrescu , S. Dellerue , M.C. Bellissent-Funel , Kneller Gr.
Journal of Molecular Liquids, 2002, 98-99, pp.383-400. ⟨10.1016/S0167-7322(01)00341-5⟩
Article dans une revue hal-00114769v1

Computing memory functions from molecular dynamics simulations

G. Kneller , Konrad Hinsen
Journal of Chemical Physics, 2001, 115 (24), pp.11097-11105. ⟨10.1063/1.1421361⟩
Article dans une revue hal-02155436v1
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Influence of molecular flexibility on DNA radiosensitivity: a simulation study

D. Viduna , Konrad Hinsen , G. Kneller
Physical Review E , 2000, 62 (3 Pt B), pp.3986-3990. ⟨10.1103/PhysRevE.62.3986⟩
Article dans une revue hal-02155461v1

Projection Methods for the Analysis of Complex Motions in Macromolecules

Konrad Hinsen , Gérald Kneller
Molecular Simulation, 2000, 23 (4-5), pp.275-292. ⟨10.1080/08927020008025373⟩
Article dans une revue hal-02155531v1

Harmonicity in slow protein dynamics

Konrad Hinsen , Andrei-Jose Petrescu , Serge Dellerue , Marie-Claire Bellissent-Funel , Gérald Kneller
Chemical Physics, 2000, 261 (1-2), pp.25-37. ⟨10.1016/S0301-0104(00)00222-6⟩
Article dans une revue hal-02155521v1

A simplified force field for describing vibrational protein dynamics over the whole frequency range

Konrad Hinsen , Gérald Kneller
Journal of Chemical Physics, 1999, 111 (24), pp.10766-10769. ⟨10.1063/1.480441⟩
Article dans une revue hal-02155539v1

Sedimentation of Clusters of Spheres II. Constrained systems

Gérald Kneller , Konrad Hinsen
Journal of Molecular Modeling, 1996, 2 (9), pp.239-250. ⟨10.1007/s0089460020239⟩
Article dans une revue hal-02155702v1

Sedimentation of Clusters of Spheres. I. Unconstrained

Konrad Hinsen , Gérald Kneller
Journal of Molecular Modeling, 1996, 2 (9), pp.227-238. ⟨10.1007/s0089460020227⟩
Article dans une revue hal-02155706v1
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Influence of constraints on the dynamics of polypeptide chains.

Konrad Hinsen , Gérald Kneller
Physical Review E , 1995, 52 (6), pp.6868-6874. ⟨10.1103/PhysRevE.52.6868⟩
Article dans une revue hal-02155715v1
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Generalized Euler equations for linked rigid bodies.

Gérald Kneller , Konrad Hinsen
Physical Review E , 1994, 50 (2), pp.1559-1564. ⟨10.1103/PhysRevE.50.1559⟩
Article dans une revue hal-02155721v1