Konrad Hinsen

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Publications

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CODE beyond FAIR: a roadmap for reusable research software

Roberto Di Cosmo , Sabrina Granger , Konrad Hinsen , Nicolas Jullien , Daniel Le Berre et al.

Scientific Data , 2026, ⟨10.1038/s41597-026-06705-6⟩

Article dans une revue hal-04930405v2
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Reviewing Research Software

Konrad Hinsen

Computing in Science and Engineering, 2025, 27 (3), pp.64-66. ⟨10.1109/MCSE.2025.3601909⟩

Article dans une revue hal-05274018v1
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Stop treating code like an afterthought: record, share and value it

Roberto Di Cosmo , Sabrina Granger , Konrad Hinsen , Nicolas Jullien , Daniel Le Berre et al.

Nature, 2025, 646 (8084), pp.284-286. ⟨10.1038/d41586-025-03196-0⟩

Article dans une revue hal-05306427v1
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Software in science is ubiquitous yet overlooked

Alexandre Hocquet , Frédéric Wieber , Gabriele Gramelsberger , Konrad Hinsen , Markus Diesmann et al.

Nature Computational Science, 2024, 4, pp.465-468. ⟨10.1038/s43588-024-00651-2⟩

Article dans une revue hal-04630568v1
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The nature of computational models

Konrad Hinsen

Computing in Science and Engineering, 2023, 25 (1), pp.61-66. ⟨10.1109/MCSE.2023.3286250⟩

Article dans une revue hal-04148865v1
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Computational Science in the Battle Against COVID-19-Part II

Gabriel Wainer , Konrad Hinsen , Kelly Gaither

Computing in Science and Engineering, 2021, 23 (1), pp.5-6. ⟨10.1109/MCSE.2020.3048123⟩

Article dans une revue hal-03376082v1
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The amounts of thermal vibrations and static disorder in protein X‐ray crystallographic B‐factors

Hyuntae Na , Konrad Hinsen , Guang Song

Proteins - Structure, Function and Bioinformatics, 2021, 89 (11), pp.1442. ⟨10.1002/prot.26165⟩

Article dans une revue hal-03358119v1
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Computational Science in the Battle Against COVID-19

Fernanda Foertter , Konrad Hinsen , Kelly Gaither , John West

Computing in Science and Engineering, 2020, 22 (6), pp.9-10. ⟨10.1109/MCSE.2020.3025398⟩

Article dans une revue hal-02967617v1
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Staged computation: the technique you didn't know you were using

Konrad Hinsen

Computing in Science and Engineering, 2020, 22 (4), pp.99-103. ⟨10.1109/MCSE.2020.2985508⟩

Article dans une revue hal-02877319v1
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[Rp] Structural flexibility in proteins -impact of the crystal environment

Konrad Hinsen

The ReScience journal, 2020, ⟨10.5281/zenodo.3886447⟩

Article dans une revue hal-02877351v1
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[¬Rp] Stokes drag on conglomerates of spheres

Konrad Hinsen

The ReScience journal, 2020, ⟨10.5281/zenodo.3889694⟩

Article dans une revue hal-02877342v1
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The magic of content-addressable storage

Konrad Hinsen

Computing in Science and Engineering, 2020, 22 (3), pp.113-119. ⟨10.1109/MCSE.2019.2949441⟩

Article dans une revue hal-02559031v1
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Challenge to test reproducibility of old computer code

Nicolas P. Rougier , Konrad Hinsen

Nature, 2019, 574 (7780), pp.634. ⟨10.1038/d41586-019-03296-8⟩

Article dans une revue hal-02340398v1
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Dealing With Software Collapse

Konrad Hinsen

Computing in Science and Engineering, 2019, 21 (3), pp.104-108. ⟨10.1109/MCSE.2019.2900945⟩

Article dans une revue hal-02117588v1
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Memory effects in a random walk description of protein structure ensembles

Gerald R. Kneller , Konrad Hinsen

The Journal of Chemical Physics, 2019, 150 (6), pp.064911. ⟨10.1063/1.5054887⟩

Article dans une revue hal-02117662v1

A carrot not a stick

Konrad Hinsen

Nature Physics, 2019, pp.727-727. ⟨10.1038/s41567-019-0627-0⟩

Article dans une revue hal-02265732v1

Code review poses extra challenges

Nicolas P. Rougier , Konrad Hinsen

Nature, 2018, 556 (7701), pp.309. ⟨10.1038/d41586-018-04628-w⟩

Article dans une revue hal-01773411v1

Verifiability in computer-aided research: the role of digital scientific notations at the human-computer interface

Konrad Hinsen

PeerJ Computer Science, 2018, 4, pp.e158. ⟨10.7717/peerj-cs.158⟩

Article dans une revue hal-02068574v1
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Domain-Specific Languages in Scientific Computing

Konrad Hinsen

Computing in Science and Engineering, 2018, 20 (1), pp.88-92. ⟨10.1109/MCSE.2018.011111130⟩

Article dans une revue hal-01966145v1
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Reusable vs. re-editable code

Konrad Hinsen

Computing in Science and Engineering, 2018, 20 (3), pp.78-83. ⟨10.1109/MCSE.2018.03202636⟩

Article dans une revue hal-01966146v1
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A Dream of Simplicity: Scientific Computing on Turing Machines

Konrad Hinsen

Computing in Science and Engineering, 2017, 19 (3), pp.78-85. ⟨10.1109/MCSE.2017.39⟩

Article dans une revue hal-02117720v1
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The Roles of Code in Computational Science

Konrad Hinsen

Computing in Science and Engineering, 2017, 19 (1), pp.78 - 82. ⟨10.1109/MCSE.2017.18⟩

Article dans une revue hal-01618279v1
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Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities

Sarah Cohen-Boulakia , Khalid Belhajjame , Olivier Collin , Jérôme Chopard , Christine Froidevaux et al.

Future Generation Computer Systems, 2017, 75, pp.284-298. ⟨10.1016/j.future.2017.01.012⟩

Article dans une revue hal-01516082v1
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Sustainable computational science: the ReScience initiative

Nicolas P. Rougier , Konrad Hinsen , Frédéric Alexandre , Thomas Arildsen , Lorena Barba et al.

PeerJ Computer Science, 2017, 3, pp.e142. ⟨10.7717/peerj-cs.142⟩

Article dans une revue hal-01592078v1

La recherche reproductible : une communication scientifique explicite

Christophe Pouzat , Andrew P. Davison , Konrad Hinsen

Statistique et Société, 2016, Deux débats sur les données, 3 (1)

Article dans une revue hal-01478360v1
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The Power to Create Chaos

Konrad Hinsen

Computing in Science and Engineering, 2016, 18 (4), pp.75-79. ⟨10.1109/MCSE.2016.67⟩

Article dans une revue hal-02071770v1

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

Konrad Hinsen , Gérald Kneller

The 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 istex hal-02072279v1
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Construction and validation of an atomic model for bacterial TSPO from electron microscopy density, evolutionary constraints, and biochemical and biophysical data

Konrad Hinsen , Aurore Vaitinadapoule , Mariano A. Ostuni , Catherine Etchebest , Jean-Jacques Lacapere

Biochimica et Biophysica Acta:Biomembranes, 2015, 1848 (2), pp.568-580. ⟨10.1016/j.bbamem.2014.10.028⟩

Article dans une revue istex hal-05431600v1

ActivePapers: a platform for publishing and archiving computer-aided research.

Konrad Hinsen

F1000Research, 2015, pp.doi:10.12688/f1000research.5773.2. ⟨10.12688/f1000research.5773.2⟩

Article dans une revue hal-01171263v1

The Approximation Tower in Computational Science: Why Testing Scientific Software Is Difficult

Konrad Hinsen

Computing in Science and Engineering, 2015, 17 (4), pp.72-77. ⟨10.1109/MCSE.2015.75⟩

Article dans une revue hal-01171382v1
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Writing Software Specifications

Konrad Hinsen

Computing in Science and Engineering, 2015, 17 (3), pp.54-61. ⟨10.1109/MCSE.2015.64⟩

Article dans une revue hal-01171458v1

Construction and validation of an atomic model for bacterial TSPO from electron microscopy density, evolutionary constraints, and biochemical and biophysical data.

Konrad Hinsen , Aurore Vaitinadapoule , Mariano A. Ostuni , Catherine Etchebest , Jean-Jacques Lacapere

Biochimica et Biophysica Acta:Biomembranes, 2015, 1848 (2), pp.568-580. ⟨10.1016/j.bbamem.2014.10.028⟩

Article dans une revue istex hal-01171268v1
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Technical Debt in Computational Science

Konrad Hinsen

Computing in Science and Engineering, 2015, 17 (6), pp.103-107. ⟨10.1109/MCSE.2015.113⟩

Article dans une revue hal-02072258v1

MOSAIC: A Data Model and File Formats for Molecular Simulations

Konrad Hinsen

Journal of Chemical Information and Modeling, 2014, 54 (1), pp.131-137. ⟨10.1021/ci400599y⟩

Article dans une revue hal-01179151v1

Computational science: shifting the focus from tools to models

Konrad Hinsen

F1000Research, 2014, 3, pp.101. ⟨10.12688/f1000research.3978.2⟩

Article dans une revue hal-01175456v1

A Glimpse of the Future of Scientific Programming

Konrad Hinsen

Computing in Science and Engineering, 2013, 15 (1), pp.84-88. ⟨10.1109/MCSE.2013.1⟩

Article dans une revue hal-00817458v1

Model-free simulation approach to molecular diffusion tensors

Guillaume Chevrot , Konrad Hinsen , Gerald Kneller

The Journal of Chemical Physics, 2013, 139 (15), pp.154110. ⟨10.1063/1.4823996⟩

Article dans une revue hal-02070748v1

Software Development for Reproducible Research

Konrad Hinsen

Computing in Science and Engineering, 2013, 15 (4), pp.60-63. ⟨10.1109/MCSE.2013.91⟩

Article dans une revue hal-02070857v1

A comparison of reduced coordinate sets for describing protein structure

Konrad Hinsen , Shuangwei Hu , Gerald R. Kneller , Antti J. Niemi

The Journal of Chemical Physics, 2013, 139 (12), pp.124115. ⟨10.1063/1.4821598⟩

Article dans une revue hal-01528424v1

Daydreaming about Scientific Programming

Konrad Hinsen

Computing in Science and Engineering, 2013, 15 (5), pp.77-79. ⟨10.1109/MCSE.2013.104⟩

Article dans une revue hal-02070862v1
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Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions

Edvin Fuglebakk , Nathalie Reuter , Konrad Hinsen

Journal of Chemical Theory and Computation, 2013, 9 (12), pp.5618-5628. ⟨10.1021/ct400399x⟩

Article dans une revue hal-02070831v1

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
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Caring for Your Data

Konrad Hinsen

Computing in Science and Engineering, 2012, 14 (6), pp.70-74. ⟨10.1109/MCSE.2012.108⟩

Article dans une revue hal-00817362v1

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

Gerald R Kneller , Konrad Hinsen , Paolo Calligari

The Journal of Chemical Physics, 2012, 136 (19), pp.191101. ⟨10.1063/1.4718380⟩

Article dans une revue hal-00726225v1

Structure and Charge-State Dependence of the Gas-Phase Ionization Energy of Proteins.

Alexandre Giuliani , Aleksandar R Milosavljević , Konrad Hinsen , Francis Canon , Christophe Nicolas et al.

Angewandte Chemie International Edition, 2012, 51, epub ahead of print. ⟨10.1002/anie.201204435⟩

Article dans une revue istex hal-00727349v1

Managing State

Konrad Hinsen

Computing in Science and Engineering, 2012, 14 (1), pp.80-86. ⟨10.1109/MCSE.2012.11⟩

Article dans une revue hal-00726599v1

A path-integral Langevin equation treatment of low-temperature doped helium clusters.

Christopher Ing , Konrad Hinsen , Jing Yang , Toby Zeng , Hui Li et al.

The Journal of Chemical Physics, 2012, 136 (22), pp.224309-224312. ⟨10.1063/1.4726507⟩

Article dans une revue hal-00726222v1

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

The 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
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Virtualization for computational scientists

G.K. Thiruvathukal , Konrad Hinsen , Konstantin Laufer , Joe Kaylor

Computing in Science and Engineering, 2010, 12 (4), pp.52-61. ⟨10.1109/MCSE.2010.92⟩

Article dans une revue hal-00602510v1

A scientific model for free will is impossible

Konrad Hinsen

Proceedings of the National Academy of Sciences of the United States of America, 2010, 107 (38), pp.E149. ⟨10.1073/pnas.1010609107⟩

Article dans une revue hal-00602371v1

Economic growth: indicators not targets.

Konrad Hinsen

Nature, 2010, 468, pp.897. ⟨10.1038/468897a⟩

Article dans une revue hal-00726312v1

Computer code: incentives needed

Konrad Hinsen

Nature, 2010, 468, pp.370. ⟨10.1038/468037b⟩

Article dans une revue hal-00726320v1

Essential tools: version control systems

Konrad Hinsen , Konstantin Laeufer , K. Thiruvathukal George

Computing in Science and Engineering, 2009, 11 (6), pp.84-90

Article dans une revue hal-00522455v1
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The promises of functional programming

Konrad Hinsen

Computing in Science and Engineering, 2009, 11 (4), pp.86-90. ⟨10.1109/MCSE.2009.129⟩

Article dans une revue hal-00522448v1

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

Gerald R. Kneller , Konrad Hinsen

The Journal of Chemical Physics, 2009, 131 (4), pp.045104. ⟨10.1063/1.3170941⟩

Article dans une revue hal-00522467v1

Physical arguments for distance-weighted interactions in elastic network models for proteins

Konrad Hinsen

Proceedings of the National Academy of Sciences of the United States of America, 2009, 106 (45), pp.E128. ⟨10.1073/pnas.0909385106⟩

Article dans une revue hal-00522452v1

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 istex hal-00176279v1

Structural flexibility in proteins: impact of the crystal environment

Konrad Hinsen

Bioinformatics, 2008, 24 (4), pp.521-528. ⟨10.1093/bioinformatics/btm625⟩

Article dans une revue hal-00283340v1

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 et al.

Chemical Physics, 2008, 345 (2-3), pp.289-297. ⟨10.1016/j.chemphys.2007.07.018⟩

Article dans une revue istex hal-00408024v1

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 / Pisʹma v žurnal "Fizika èlementarnyh častic i atomnogo âdra"], 2008, 5 (3), pp.189-195. ⟨10.1134/S1547477108030114⟩

Article dans une revue hal-00518138v1

Parallel scripting with python

Konrad Hinsen

Computing in Science and Engineering, 2007, 9 (6), pp.82-89

Article dans une revue hal-00282403v1

Using BSP and Python to simplify parallel programming

K. Hinsen , H.P. Langtangen , O. Skavhaug , A. Odegard

Future Generation Computer Systems, 2006, 22, pp.123-157. ⟨10.1016/j.future.2003.09.003⟩

Article dans une revue istex hal-00088866v1

Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”

Konrad Hinsen

Proteins - Structure, Function and Bioinformatics, 2006, 64 (3), pp.795-797. ⟨10.1002/prot.20900⟩

Article dans une revue hal-02159753v1
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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
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Normal mode based fitting of atomic structure into electron density maps: application to SR Ca-ATPase

Konrad Hinsen , Nathalie Reuter , Jorge Navaza , David L. Stokes , Jean-Jacques Lacapère

Biophysical Journal, 2005, 88, pp.818. ⟨10.1529/biophysj.104.050716⟩

Article dans une revue hal-00015408v1

Fractional Brownian dynamics in proteins

Gerald Kneller , Konrad Hinsen

The Journal of Chemical Physics, 2004, 121, pp.10278. ⟨10.1063/1.1806134⟩

Article dans une revue hal-00015422v1

High-Level Parallel Software Development with Python and BSP

Konrad Hinsen

Parallel Processing Letters, 2003, 13, pp.473. ⟨10.1142/S0129626403001434⟩

Article dans une revue hal-00015424v1

Transconformations of the SERCA1 Ca-ATPase: A Normal Mode Study

Nathalie Reuter , Konrad Hinsen , Jean-Jacques Lacapère

Biophysical Journal, 2003, 85, pp.2186. ⟨10.1016/S0006-3495(03)74644-X⟩

Article dans une revue hal-00015419v1

Mass and size effects on the memory function of tracer particles

G. Kneller , Konrad Hinsen , G. Sutmann

The Journal of Chemical Physics, 2003, 118 (12), pp.5283-5286. ⟨10.1063/1.1562620⟩

Article dans une revue hal-02154086v1

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 istex hal-02154080v1

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 istex hal-00114769v1

Computing memory functions from molecular dynamics simulations

G. Kneller , Konrad Hinsen

The Journal of Chemical Physics, 2001, 115 (24), pp.11097-11105. ⟨10.1063/1.1421361⟩

Article dans une revue hal-02155436v1

The molecular modeling toolkit: A new approach to molecular simulations

Konrad Hinsen

Journal of Computational Chemistry, 2000, 21 (2), pp.79-85. ⟨10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B⟩

Article dans une revue hal-02159757v1
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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

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 istex hal-02155521v1

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

Theoretical study of the conformation of the H-protein lipoamide arm as a function of its terminal group

Olivier Roche , Konrad Hinsen , Martin Field

Proteins: Structure, Function, and Genetics, 1999, 36 (2), pp.228-237. ⟨10.1002/(SICI)1097-0134(19990801)36:2<228::AID-PROT8>3.0.CO;2-Q⟩

Article dans une revue hal-02159759v1

Analysis of domain motions in large proteins

Konrad Hinsen , Aline Thomas , Martin Field

Proteins: Structure, Function, and Genetics, 1999, 34 (3), pp.369-382. ⟨10.1002/(SICI)1097-0134(19990215)34:3<369::AID-PROT9>3.0.CO;2-F⟩

Article dans une revue hal-02159761v1

Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study

D. Thomas , Konrad Hinsen , Martin Field , David Perahia , Aline Thomas

Proteins: Structure, Function, and Genetics, 1999, 34 (1), pp.96-112. ⟨10.1002/(SICI)1097-0134(19990101)34:1<96::AID-PROT8>3.0.CO;2-0⟩

Article dans une revue hal-02159763v1

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

Konrad Hinsen , Gérald Kneller

The Journal of Chemical Physics, 1999, 111 (24), pp.10766-10769. ⟨10.1063/1.480441⟩

Article dans une revue hal-02155539v1

Analysis of domain motions by approximate normal mode calculations

Konrad Hinsen

Proteins: Structure, Function, and Genetics, 1998, 33 (3), pp.417-429. ⟨10.1002/(SICI)1097-0134(19981115)33:3<417::AID-PROT10>3.0.CO;2-8⟩

Article dans une revue istex hal-02159766v1

Potential of mean force and reaction rates for proton transfer in acetylacetone

Konrad Hinsen , Benoît Roux

The Journal of Chemical Physics, 1997, 106 (9), pp.3567-3577. ⟨10.1063/1.473439⟩

Article dans une revue hal-02159771v1

Mixing quantum-classical molecular dynamics methods applied to intramolecular proton transfer in acetylacetone

Omar Sharafeddin , Konrad Hinsen , Tucker Carrington , Benoît Roux

Journal of Computational Chemistry, 1997, 18 (14), pp.1760-1772. ⟨10.1002/(SICI)1096-987X(19971115)18:14<1760::AID-JCC5>3.0.CO;2-I⟩

Article dans une revue istex hal-02159768v1

A potential function for computer simulation studies of proton transfer in acetylacetone

Konrad Hinsen , Benoît Roux

Journal of Computational Chemistry, 1997, 18 (3), pp.368-380. ⟨10.1002/(SICI)1096-987X(199702)18:3<368::AID-JCC7>3.0.CO;2-S⟩

Article dans une revue istex hal-02159788v1

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 istex hal-02155706v1

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 istex hal-02155702v1

Numerical Python

Paul Dubois , Konrad Hinsen , James Hugunin

Computers in Physics, 1996, 10 (3), pp.262. ⟨10.1063/1.4822400⟩

Article dans une revue hal-02159793v1

Stokes drag on conglomerates of spheres

B. Cichocki , K. Hinsen

Physics of Fluids, 1995, 7 (2), pp.285-291. ⟨10.1063/1.868626⟩

Article dans une revue hal-02159864v1
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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

HYDROLIB: a library for the evaluation of hydrodynamic interactions in colloidal suspensions

K. Hinsen

Computer Physics Communications, 1995, 88 (2-3), pp.327-340. ⟨10.1016/0010-4655(95)00029-F⟩

Article dans une revue istex hal-02159867v1

Friction and mobility of many spheres in Stokes flow

B. Cichocki , B. Felderhof , K. Hinsen , E. Wajnryb , J. Bl/awzdziewicz

The Journal of Chemical Physics, 1994, 100 (5), pp.3780-3790. ⟨10.1063/1.466366⟩

Article dans une revue hal-02159862v1
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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

Reduced description of electric multipole potential in Cartesian coordinates

K. Hinsen , B. Felderhof

Journal of Mathematical Physics, 1992, 33 (11), pp.3731-3735. ⟨10.1063/1.529869⟩

Article dans une revue hal-02159851v1

Dynamic computer simulation of concentrated hard sphere suspensions II. Re-analysis of mean square displacement data

B. Cichocki , K. Hinsen

Physica A: Statistical Mechanics and its Applications, 1992, 187 (1-2), pp.133-144. ⟨10.1016/0378-4371(92)90414-L⟩

Article dans une revue istex hal-02159834v1

Anisotropic dielectric tensor and the Hall effect in a suspension of spheres

K. Hinsen , A. Bratz , B. Felderhof

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1992, 46 (23), pp.14995-15003. ⟨10.1103/physrevb.46.14995⟩

Article dans une revue hal-02159856v1

Dielectric constant of a suspension of uniform spheres

K. Hinsen , B. Felderhof

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1992, 46 (20), pp.12955-12963. ⟨10.1103/physrevb.46.12955⟩

Article dans une revue hal-02159854v1

Nonlinear dielectric constant of nonpolar fluids

K. Hinsen , A. Bratz , B. Felderhof

The Journal of Chemical Physics, 1992, 97 (12), pp.9299-9302. ⟨10.1063/1.463305⟩

Article dans une revue hal-02159857v1

Dielectric constant of a hard‐sphere fluid with induced dipoles and quadrupoles

K. Hinsen , B. Felderhof

The Journal of Chemical Physics, 1991, 94 (8), pp.5655-5662. ⟨10.1063/1.460476⟩

Article dans une revue hal-02159835v1

Dynamic computer simulation of concentrated hard sphere suspensions I. Simulation technique and mean square displacement data

B. Cichocki , K. Hinsen

Physica A: Statistical Mechanics and its Applications, 1990, 166 (3), pp.473-491. ⟨10.1016/0378-4371(90)90068-4⟩

Article dans une revue istex hal-02159842v1
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Electrostatic interactions in periodic Coulomb and dipolar systems

B. Cichocki , B.U. Felderhof , Konrad Hinsen

Physical Review A, 1989, 39 (10), pp.5350-5358. ⟨10.1103/PhysRevA.39.5350⟩

Article dans une revue hal-02159845v1
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Redressing the Balance: A Yin-Yang Perspective on Information Technology

Konrad Hinsen

Onward! '24: 2024 ACM SIGPLAN International Symposium on New Ideas, New Paradigms, and Reflections on Programming and Software, Oct 2024, Pasadena, CA, United States. pp.194-204, ⟨10.1145/3689492.3689808⟩

Communication dans un congrès hal-04743587v1
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La reproductibilité des calculs coûteux

Konrad Hinsen

Reproductibilité de la Recherche, May 2021, Virtual, France. pp.11-14, ⟨10.48556/SIF.1024.18.11⟩

Communication dans un congrès hal-03471914v1
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ReScience C: A Journal for Reproducible Replications in Computational Science

Nicolas P. Rougier , Konrad Hinsen

RRPR 2018 - 2nd International Workshop on Reproducible Research in Pattern Recognition, Aug 2018, Pékin, China. pp.150-156, ⟨10.1007/978-3-030-23987-9_14⟩

Communication dans un congrès hal-02199854v1
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Building a scientific workbench in Pharo

Konrad Hinsen , Serge Stinckwich

IWST19 - International Workshop on Smalltalk Technologies, Aug 2019, Cologne, Germany

Communication dans un congrès hal-02533110v1

Les enjeux et défis de la recherche reproductible

Konrad Hinsen

Journée ARAMIS 2019, May 2019, Lyon, France

Communication dans un congrès hal-03010180v1

ReScience

Konrad Hinsen , Nicolas P. Rougier

Open science, transparence et évaluation. Perspectives et enjeux pour les chercheurs, URFIST Bordeaux, Apr 2017, Bordeaux, France

Communication dans un congrès hal-01573262v1

The long road from ideas to bits and back: a traveller’s guide to verifiable computational research

Konrad Hinsen

2nd Meeting on Testing and Verification for Computational Science, Mar 2017, Cambridge, United Kingdom

Communication dans un congrès hal-02999210v1

La reproductibilité des calculs numériques en HPC : problèmes et solutions existantes

Konrad Hinsen

Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France

Communication dans un congrès hal-03010231v1

The stuff that proteins are made of: physical properties of folded peptide chains

Konrad Hinsen

Physics and Biology of Proteins, International Institute of Physics, Jun 2017, Natal, Brazil

Communication dans un congrès hal-02999195v1

Enjeux et défis de la recherche reproductible

Konrad Hinsen

Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France

Communication dans un congrès hal-03010269v1

La chaîne peptidique repliée comme matériau de construction

Konrad Hinsen

Journée Modes Normaux, May 2017, Paris, France

Communication dans un congrès hal-03010297v1

Séminaire invité : Leibniz: A Digital Scientific Notation

Konrad Hinsen

Séminaire IRILL, Nov 2016, Paris, France

Communication dans un congrès hal-02999103v1

ReScience

Konrad Hinsen , Nicolas P. Rougier

Retour d’expéRiences sur la Recherche Reproductible, Konrad HINSEN, Andrew DAVISON, Christophe POUZAT, Dec 2015, Orléans, France

Communication dans un congrès hal-01237835v1

Ionization energy of gas phase protein cations and its dependence on charge state_and structure

Alexandre Giuliani , Alexandre R. Milosavljević , Konrad Hinsen , Francis Canon , Christophe Nicolas et al.

Synchrotron SOLEIL Users Meeting, Jan 2013, Orsay, France

Communication dans un congrès hal-01573564v1
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A data and code model for reproducible research and executable papers

Konrad Hinsen

International Conference on Computational Science, Jun 2011, Singapour, Singapore. pp.579, ⟨10.1016/j.procs.2011.04.061⟩

Communication dans un congrès hal-00626032v1

Computation in Science (Second Edition)

Konrad Hinsen

IOP Publishing, 2020, 978-0-7503-3285-9. ⟨10.1088/978-0-7503-3287-3⟩

Ouvrages hal-02980483v1

Computation in Science

Konrad Hinsen

IOP Publishing, 2015

Ouvrages hal-02159886v1

Effektive elektrostatische Eigenschaften von Suspensionen

Konrad Hinsen

B.U. Felderhof; P. Grosse; A. Stahl. Verlag der Augustinus-Buchhandlung, 1992, Aachener Beiträge zur Physik der kondensierten Materie, 3-86073-050-9

Ouvrages hal-02171820v1
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Problem-Specific Analysis of Molecular Dynamics Trajectories for Biomolecules

Konrad Hinsen

Justin Kitzes; Daniel Turek; Fatma Deniz. The Practice of Reproducible Research : Case Studies and Lessons from the Data-Intensive Sciences, University of California Press, pp.277-284, 2017, 978-0520294752. ⟨10.1525/9780520967779-033⟩

Chapitre d'ouvrage hal-02071690v1

From electron microscopy maps to atomic structures using normal mode-based fitting

Konrad Hinsen , Edward Beaumont , Bertrand Fournier , Jean-Jacques Lacapère

Lacapère Jean-Jacques. Membrane Protein Structure Determination. (Methods and Protocols). isbn: 978-1-60761-762-4, 654, Springer - Humana Press, pp.237-258, 2010, Methods in Molecular Biology, 978-1-60761-761-7. ⟨10.1007/978-1-60761-762-4_13⟩

Chapitre d'ouvrage hal-00610003v1
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Normal mode theory and harmonic potential approximations

Konrad Hinsen

Qiang Cui; Ivet Bahar. Normal Mode Analysis, chapter 1, pp.1-16, 2005, Normal Mode Analysis : Theory and Applications to Biological and Chemical Systems, 9780429146220 (ebook). ⟨10.1201/9781420035070-7⟩

Chapitre d'ouvrage hal-02159881v1
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Guix-HPC Activity Report 2025

Céline Acary-Robert , Benjamin Arrondeau , Pierre-Antoine Bouttier , Luca Cirrottola , Ludovic Courtès et al.

Inria Bordeaux - Sud Ouest. 2026, pp.1-33

Rapport hal-05499984v1
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Guix-HPC Activity Report 2023-2024

Céline Acary-Robert , Emmanuel Agullo , Benjamin Arrondeau , Lars Bilke , Dylan Bissuel et al.

Inria Bordeaux - Sud Ouest. 2025, pp.1-36

Rapport hal-04942752v1
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Guix-HPC Activity Report 2022–2023

Céline Acary-Robert , Emmanuel Agullo , Ludovic Courtès , Marek Felšöci , Konrad Hinsen et al.

Inria Bordeaux - Sud Ouest. 2024, pp.1-32

Rapport (rapport d’expertise collective) hal-04500140v1
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Guix-HPC Activity Report 2020-2021

Pierre-Antoine Bouttier , Ludovic Courtès , Yann Dupont , Marek Felšöci , Felix Gruber et al.

[Technical Report] Inria Bordeaux - Sud-Ouest; Université Grenoble - Alpes; Université Paris. 2022

Rapport (rapport technique) hal-03565692v1
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Guix-HPC Activity Report 2018–2019

Ludovic Courtès , Paul Garlick , Konrad Hinsen , Pjotr Prins , Ricardo Wurmus

[Technical Report] Inria Bordeaux Sud-Ouest; Tourbillion Technology; Synchrotron SOLEIL; Health Science Center; Max Delbrück Center for Molecular Medicine. 2020

Rapport (rapport technique) hal-02485338v1

Tabular data

Konrad Hinsen Logiciel hal-05131156v1

Micrograd

Konrad Hinsen Logiciel hal-05351357v1
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HyperDoc

Konrad Hinsen Logiciel hal-05131874v1
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Acute respiratory infections in France

Konrad Hinsen Logiciel hal-05148287v1
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Influenza epidemics in France

Konrad Hinsen Logiciel hal-05148309v1

Leibniz 2

Konrad Hinsen Logiciel hal-05034316v1
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Leibniz 1

Konrad Hinsen Logiciel hal-05034387v1

Molecular Modeling Toolkit

Konrad Hinsen Logiciel hal-05034295v1