Konrad Hinsen

131

Documents

Publications

	Software in science is ubiquitous yet overlooked Alexandre Hocquet , Frédéric Wieber , Gabriele Gramelsberger , Konrad Hinsen , Markus Diesmann Nature Computational Science, 2024, 4, pp.465-468. ⟨10.1038/s43588-024-00651-2⟩ Journal articles hal-04630568v1
	The nature of computational models Konrad Hinsen Computing in Science and Engineering, 2023, 25 (1), pp.61-66. ⟨10.1109/MCSE.2023.3286250⟩ Journal articles hal-04148865v1
	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⟩ Journal articles hal-03376082v1
	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⟩ Journal articles hal-03358119v1
	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⟩ Journal articles hal-02967617v1
	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⟩ Journal articles hal-02877319v1
	The magic of content-addressable storage Konrad Hinsen Computing in Science and Engineering, 2020, 22 (3), pp.113-119. ⟨10.1109/MCSE.2019.2949441⟩ Journal articles hal-02559031v1
	[¬Rp] Stokes drag on conglomerates of spheres Konrad Hinsen The ReScience journal, 2020, ⟨10.5281/zenodo.3889694⟩ Journal articles hal-02877342v1
	[Rp] Structural flexibility in proteins -impact of the crystal environment Konrad Hinsen The ReScience journal, 2020, ⟨10.5281/zenodo.3886447⟩ Journal articles hal-02877351v1
	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⟩ Journal articles hal-02340398v1
	A carrot not a stick Konrad Hinsen Nature Physics, 2019, pp.727-727. ⟨10.1038/s41567-019-0627-0⟩ Journal articles hal-02265732v1
	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⟩ Journal articles hal-02117662v1
	Dealing With Software Collapse Konrad Hinsen Computing in Science and Engineering, 2019, 21 (3), pp.104-108. ⟨10.1109/MCSE.2019.2900945⟩ Journal articles hal-02117588v1
	Reusable vs. re-editable code Konrad Hinsen Computing in Science and Engineering, 2018, 20 (3), pp.78-83. ⟨10.1109/MCSE.2018.03202636⟩ Journal articles hal-01966146v1
	Domain-Specific Languages in Scientific Computing Konrad Hinsen Computing in Science and Engineering, 2018, 20 (1), pp.88-92. ⟨10.1109/MCSE.2018.011111130⟩ Journal articles hal-01966145v1
	Code review poses extra challenges Nicolas P. Rougier , Konrad Hinsen Nature, 2018, 556 (7701), pp.309. ⟨10.1038/d41586-018-04628-w⟩ Journal articles 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⟩ Journal articles hal-02068574v1
	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⟩ Journal articles hal-01618279v1
	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⟩ Journal articles hal-02117720v1
	Sustainable computational science: the ReScience initiative Nicolas P. Rougier , Konrad Hinsen , Frédéric Alexandre , Thomas Arildsen , Lorena Barba PeerJ Computer Science, 2017, 3, pp.e142. ⟨10.7717/peerj-cs.142⟩ Journal articles hal-01592078v1
	Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities Sarah Cohen-Boulakia , Khalid Belhajjame , Olivier Collin , Jérôme Chopard , Christine Froidevaux Future Generation Computer Systems, 2017, 75, pp.284-298. ⟨10.1016/j.future.2017.01.012⟩ Journal articles hal-01516082v1
	The Power to Create Chaos Konrad Hinsen Computing in Science and Engineering, 2016, 18 (4), pp.75-79. ⟨10.1109/MCSE.2016.67⟩ Journal articles hal-02071770v1
	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) Journal articles hal-01478360v1
	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⟩ Journal articles hal-02154066v1
	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⟩ Journal articles hal-01171268v1
	Technical Debt in Computational Science Konrad Hinsen Computing in Science and Engineering, 2015, 17 (6), pp.103-107. ⟨10.1109/MCSE.2015.113⟩ Journal articles hal-02072258v1
	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⟩ Journal articles hal-02072279v1
	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⟩ Journal articles 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⟩ Journal articles hal-01171382v1
	Writing Software Specifications Konrad Hinsen Computing in Science and Engineering, 2015, 17 (3), pp.54-61. ⟨10.1109/MCSE.2015.64⟩ Journal articles hal-01171458v1
	Computational science: shifting the focus from tools to models Konrad Hinsen F1000Research, 2014, 3, pp.101. ⟨10.12688/f1000research.3978.2⟩ Journal articles hal-01175456v1
	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⟩ Journal articles hal-01179151v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-01528424v1
	Daydreaming about Scientific Programming Konrad Hinsen Computing in Science and Engineering, 2013, 15 (5), pp.77-79. ⟨10.1109/MCSE.2013.104⟩ Journal articles hal-02070862v1
	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⟩ Journal articles hal-02070831v1
	A path-integral Langevin equation treatment of low-temperature doped helium clusters. Christopher Ing , Konrad Hinsen , Jing Yang , Toby Zeng , Hui Li The Journal of Chemical Physics, 2012, 136 (22), pp.224309-224312. ⟨10.1063/1.4726507⟩ Journal articles hal-00726222v1
	Managing State Konrad Hinsen Computing in Science and Engineering, 2012, 14 (1), pp.80-86. ⟨10.1109/MCSE.2012.11⟩ Journal articles hal-00726599v1
	Structure and Charge-State Dependence of the Gas-Phase Ionization Energy of Proteins. Alexandre Giuliani , Aleksandar R Milosavljević , Konrad Hinsen , Francis Canon , Christophe Nicolas Angewandte Chemie International Edition, 2012, 51, epub ahead of print. ⟨10.1002/anie.201204435⟩ Journal articles hal-00727349v1
	Caring for Your Data Konrad Hinsen Computing in Science and Engineering, 2012, 14 (6), pp.70-74. ⟨10.1109/MCSE.2012.108⟩ Journal articles hal-00817362v1
	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⟩ Journal articles hal-00721865v1
	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⟩ Journal articles hal-00726225v1
	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⟩ Journal articles hal-00720549v1
	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⟩ Journal articles hal-00720598v1
	Economic growth: indicators not targets. Konrad Hinsen Nature, 2010, 468, pp.897. ⟨10.1038/468897a⟩ Journal articles hal-00726312v1
	Computer code: incentives needed Konrad Hinsen Nature, 2010, 468, pp.370. ⟨10.1038/468037b⟩ Journal articles hal-00726320v1
	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⟩ Journal articles 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⟩ Journal articles hal-00602371v1
	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⟩ Journal articles hal-00522452v1
	Essential tools: version control systems Konrad Hinsen , Konstantin Laeufer , K. Thiruvathukal George Computing in Science and Engineering, 2009, 11 (6), pp.84-90 Journal articles hal-00522455v1
	The promises of functional programming Konrad Hinsen Computing in Science and Engineering, 2009, 11 (4), pp.86-90. ⟨10.1109/MCSE.2009.129⟩ Journal articles 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⟩ Journal articles hal-00522467v1
	Structural flexibility in proteins: impact of the crystal environment Konrad Hinsen Bioinformatics, 2008, 24 (4), pp.521-528. ⟨10.1093/bioinformatics/btm625⟩ Journal articles hal-00283340v1
	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⟩ Journal articles 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 / Pisʹma v žurnal "Fizika èlementarnyh častic i atomnogo âdra"], 2008, 5 (3), pp.189-195. ⟨10.1134/S1547477108030114⟩ Journal articles 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⟩ Journal articles hal-00408024v1
	Parallel scripting with python Konrad Hinsen Computing in Science and Engineering, 2007, 9 (6), pp.82-89 Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-02159753v1
	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⟩ Journal articles hal-00388010v1
	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⟩ Journal articles hal-00015408v1
	Fractional Brownian dynamics in proteins Gerald Kneller , Konrad Hinsen The Journal of Chemical Physics, 2004, 121, pp.10278. ⟨10.1063/1.1806134⟩ Journal articles 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⟩ Journal articles hal-02154080v1
	High-Level Parallel Software Development with Python and BSP Konrad Hinsen Parallel Processing Letters, 2003, 13, pp.473. ⟨10.1142/S0129626403001434⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-02159757v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-02155706v1
	Numerical Python Paul Dubois , Konrad Hinsen , James Hugunin Computers in Physics, 1996, 10 (3), pp.262. ⟨10.1063/1.4822400⟩ Journal articles hal-02159793v1
	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⟩ Journal articles hal-02155702v1
	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⟩ Journal articles hal-02155715v1
	Stokes drag on conglomerates of spheres B. Cichocki , K. Hinsen Physics of Fluids, 1995, 7 (2), pp.285-291. ⟨10.1063/1.868626⟩ Journal articles hal-02159864v1
	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⟩ Journal articles hal-02159867v1
	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⟩ Journal articles hal-02155721v1
	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⟩ Journal articles hal-02159862v1
	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⟩ Journal articles hal-02159834v1
	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⟩ Journal articles hal-02159851v1
	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⟩ Journal articles hal-02159856v1
	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⟩ Journal articles hal-02159857v1
	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⟩ Journal articles hal-02159854v1
	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⟩ Journal articles 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⟩ Journal articles hal-02159842v1
	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⟩ Journal articles hal-02159845v1

	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⟩ Conference papers hal-04743587v1
	La reproductibilité des calculs coûteux Konrad Hinsen Reproductibilité de la Recherche, May 2021, Virtual, France. pp.11-14, ⟨10.48556/SIF.1024.18.11⟩ Conference papers hal-03471914v1
	Les enjeux et défis de la recherche reproductible Konrad Hinsen Journée ARAMIS 2019, May 2019, Lyon, France Conference papers hal-03010180v1
	Building a scientific workbench in Pharo Konrad Hinsen , Serge Stinckwich International Workshop on Smalltalk Technologies, Aug 2019, Cologne, Germany Conference papers hal-02533110v1
	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⟩ Conference papers hal-02199854v1
	Enjeux et défis de la recherche reproductible Konrad Hinsen Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France Conference papers hal-03010269v1
	La chaîne peptidique repliée comme matériau de construction Konrad Hinsen Journée Modes Normaux, May 2017, Paris, France Conference papers hal-03010297v1
	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 Conference papers hal-02999195v1
	La reproductibilité des calculs numériques en HPC : problèmes et solutions existantes Konrad Hinsen Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France Conference papers hal-03010231v1
	ReScience Konrad Hinsen , Nicolas P. Rougier Open science, transparence et évaluation. Perspectives et enjeux pour les chercheurs, URFIST Bordeaux, Apr 2017, Bordeaux, France Conference papers 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 Conference papers hal-02999210v1
	Séminaire invité : Leibniz: A Digital Scientific Notation Konrad Hinsen Séminaire IRILL, Nov 2016, Paris, France Conference papers 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 Conference papers 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 Synchrotron SOLEIL Users Meeting, Jan 2013, Orsay, France Conference papers hal-01573564v1
	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⟩ Conference papers hal-00626032v1

	Computation in Science (Second Edition) Konrad Hinsen IOP Publishing, 2020, 978-0-7503-3285-9. ⟨10.1088/978-0-7503-3287-3⟩ Books hal-02980483v1
	Computation in Science Konrad Hinsen IOP Publishing, 2015 Books 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 Books hal-02171820v1

	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⟩ Book sections 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⟩ Book sections hal-00610003v1
	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⟩ Book sections hal-02159881v1

	Reproducibility and replicability of computer simulations Konrad Hinsen 2024 Other publications hal-04621140v1
	Code and data for: Memory effects in a random walk description of protein structure ensembles Gérald Kneller , Konrad Hinsen 2019, ⟨10.5281/zenodo.2549987⟩ Other publications hal-03010373v1
	Make computer-aided research more verifiable Journal of Brief Ideas Konrad Hinsen 2016 Other publications hal-02999034v1
	Commentary: Scientific communication in the digital age Konrad Hinsen 2016, pp.10-11. ⟨10.1063/PT.3.3181⟩ Other publications hal-02159751v1

	Science in the digital era Konrad Hinsen 2024 Preprints, Working Papers, ... hal-04762424v1
	Establishing trust in automated reasoning Konrad Hinsen 2023 Preprints, Working Papers, ... hal-04190232v1
	Science in the digital era Konrad Hinsen 2023 Preprints, Working Papers, ... hal-04199204v1
	Science in the digital era Konrad Hinsen 2022 Preprints, Working Papers, ... hal-03807734v1
	Le notebook. Une forme intelligible du numérique ? Un objet écosophique ? Raphaëlle Krummeich , Sébastien Rey-Coyrehourcq , Hugues Pecout , Konrad Hinsen , Pierre Poulain 2022 Preprints, Working Papers, ... halshs-04019870v1

	Guix-HPC Activity Report 2022–2023 Céline Acary-Robert , Emmanuel Agullo , Ludovic Courtès , Marek Felšöci , Konrad Hinsen Inria Bordeaux - Sud Ouest. 2024, pp.1-32 Reports hal-04500140v1
	Guix-HPC Activity Report 2020-2021 Pierre-Antoine Bouttier , Ludovic Courtès , Yann Dupont , Marek Felšöci , Felix Gruber [Technical Report] Inria Bordeaux - Sud-Ouest; Université Grenoble - Alpes; Université Paris. 2022 Reports hal-03565692v1
	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 Reports hal-02485338v1

Konrad Hinsen

Publications

Software in science is ubiquitous yet overlooked

The nature of computational models

Computational Science in the Battle Against COVID-19-Part II

The amounts of thermal vibrations and static disorder in protein X‐ray crystallographic B‐factors

Computational Science in the Battle Against COVID-19

Staged computation: the technique you didn't know you were using

The magic of content-addressable storage

[¬Rp] Stokes drag on conglomerates of spheres

[Rp] Structural flexibility in proteins -impact of the crystal environment

Challenge to test reproducibility of old computer code

A carrot not a stick

Memory effects in a random walk description of protein structure ensembles

Dealing With Software Collapse

Reusable vs. re-editable code

Domain-Specific Languages in Scientific Computing

Code review poses extra challenges

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

The Roles of Code in Computational Science

A Dream of Simplicity: Scientific Computing on Turing Machines

Sustainable computational science: the ReScience initiative

Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities

The Power to Create Chaos

La recherche reproductible : une communication scientifique explicite

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

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

Technical Debt in Computational Science

Protein secondary-structure description with a coarse-grained model

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

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

Writing Software Specifications

Computational science: shifting the focus from tools to models

MOSAIC: A Data Model and File Formats for Molecular Simulations

A Glimpse of the Future of Scientific Programming

Model-free simulation approach to molecular diffusion tensors

Software Development for Reproducible Research

A comparison of reduced coordinate sets for describing protein structure

Daydreaming about Scientific Programming

Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions

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

Managing State

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

Caring for Your Data

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

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

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

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

Economic growth: indicators not targets.

Computer code: incentives needed

Virtualization for computational scientists

A scientific model for free will is impossible

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

Essential tools: version control systems

The promises of functional programming

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

Structural flexibility in proteins: impact of the crystal environment

Solvent effects in the slow dynamics of proteins

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

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

Parallel scripting with python

Using BSP and Python to simplify parallel programming

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

Simulation studies of structural changes and relaxation processes in lysozyme under pressure

Normal mode based fitting of atomic structure into electron density maps: application to SR Ca-ATPase

Fractional Brownian dynamics in proteins

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

High-Level Parallel Software Development with Python and BSP

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

Mass and size effects on the memory function of tracer particles

Liquid-like and solid-like motions in proteins

Computing memory functions from molecular dynamics simulations

The molecular modeling toolkit: A new approach to molecular simulations

Influence of molecular flexibility on DNA radiosensitivity: a simulation study

Harmonicity in slow protein dynamics

Projection Methods for the Analysis of Complex Motions in Macromolecules

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

Analysis of domain motions in large proteins

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

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