email : konrad.hinsen[remplacer_par_at]cnrs-orleans.fr
Phone : +33 1.69.35.97.15
Researher, team “Theoritical and Computational biophysics”
02.38.25.55.53
131 documents
Article dans une revue
- Alexandre Hocquet, Frédéric Wieber, Gabriele Gramelsberger, Konrad Hinsen, Markus Diesmann, et al.. Software in science is ubiquitous yet overlooked. Nature Computational Science, 2024, 4, pp.465-468. ⟨10.1038/s43588-024-00651-2⟩. ⟨hal-04630568⟩
- Konrad Hinsen. The nature of computational models. Computing in Science and Engineering, 2023, 25 (1), pp.61-66. ⟨10.1109/MCSE.2023.3286250⟩. ⟨hal-04148865⟩
- Hyuntae Na, Konrad Hinsen, Guang Song. The amounts of thermal vibrations and static disorder in protein X‐ray crystallographic B‐factors. Proteins - Structure, Function and Bioinformatics, 2021, 89 (11), pp.1442. ⟨10.1002/prot.26165⟩. ⟨hal-03358119⟩
- Gabriel Wainer, Konrad Hinsen, Kelly Gaither. Computational Science in the Battle Against COVID-19-Part II. Computing in Science and Engineering, 2021, 23 (1), pp.5-6. ⟨10.1109/MCSE.2020.3048123⟩. ⟨hal-03376082⟩
- Fernanda Foertter, Konrad Hinsen, Kelly Gaither, John West. Computational Science in the Battle Against COVID-19. Computing in Science and Engineering, 2020, 22 (6), pp.9-10. ⟨10.1109/MCSE.2020.3025398⟩. ⟨hal-02967617⟩
- Konrad Hinsen. Staged computation: the technique you didn't know you were using. Computing in Science and Engineering, 2020, 22 (4), pp.99-103. ⟨10.1109/MCSE.2020.2985508⟩. ⟨hal-02877319⟩
- Konrad Hinsen. [Rp] Structural flexibility in proteins -impact of the crystal environment. The ReScience journal, 2020, ⟨10.5281/zenodo.3886447⟩. ⟨hal-02877351⟩
- Konrad Hinsen. The magic of content-addressable storage. Computing in Science and Engineering, 2020, 22 (3), pp.113-119. ⟨10.1109/MCSE.2019.2949441⟩. ⟨hal-02559031⟩
- Konrad Hinsen. [¬Rp] Stokes drag on conglomerates of spheres. The ReScience journal, 2020, ⟨10.5281/zenodo.3889694⟩. ⟨hal-02877342⟩
- Nicolas P. Rougier, Konrad Hinsen. Challenge to test reproducibility of old computer code. Nature, 2019, 574 (7780), pp.634. ⟨10.1038/d41586-019-03296-8⟩. ⟨hal-02340398⟩
- Konrad Hinsen. A carrot not a stick. Nature Physics, 2019, pp.727-727. ⟨10.1038/s41567-019-0627-0⟩. ⟨hal-02265732⟩
- Gerald R. Kneller, Konrad Hinsen. Memory effects in a random walk description of protein structure ensembles. The Journal of Chemical Physics, 2019, 150 (6), pp.064911. ⟨10.1063/1.5054887⟩. ⟨hal-02117662⟩
- Konrad Hinsen. Dealing With Software Collapse. Computing in Science and Engineering, 2019, 21 (3), pp.104-108. ⟨10.1109/MCSE.2019.2900945⟩. ⟨hal-02117588⟩
- Konrad Hinsen. Reusable vs. re-editable code. Computing in Science and Engineering, 2018, 20 (3), pp.78-83. ⟨10.1109/MCSE.2018.03202636⟩. ⟨hal-01966146⟩
- Nicolas P. Rougier, Konrad Hinsen. Code review poses extra challenges. Nature, 2018, 556 (7701), pp.309. ⟨10.1038/d41586-018-04628-w⟩. ⟨hal-01773411⟩
- Konrad Hinsen. Domain-Specific Languages in Scientific Computing. Computing in Science and Engineering, 2018, 20 (1), pp.88-92. ⟨10.1109/MCSE.2018.011111130⟩. ⟨hal-01966145⟩
- Konrad Hinsen. Verifiability in computer-aided research: the role of digital scientific notations at the human-computer interface. PeerJ Computer Science, 2018, 4, pp.e158. ⟨10.7717/peerj-cs.158⟩. ⟨hal-02068574⟩
- Konrad Hinsen. A Dream of Simplicity: Scientific Computing on Turing Machines. Computing in Science and Engineering, 2017, 19 (3), pp.78-85. ⟨10.1109/MCSE.2017.39⟩. ⟨hal-02117720⟩
- Konrad Hinsen. The Roles of Code in Computational Science. Computing in Science and Engineering, 2017, 19 (1), pp.78 - 82. ⟨10.1109/MCSE.2017.18⟩. ⟨hal-01618279⟩
- Nicolas P. Rougier, Konrad Hinsen, Frédéric Alexandre, Thomas Arildsen, Lorena Barba, et al.. Sustainable computational science: the ReScience initiative. PeerJ Computer Science, 2017, 3, pp.e142. ⟨10.7717/peerj-cs.142⟩. ⟨hal-01592078⟩
- Sarah Cohen-Boulakia, Khalid Belhajjame, Olivier Collin, Jérôme Chopard, Christine Froidevaux, et al.. Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities. Future Generation Computer Systems, 2017, 75, pp.284-298. ⟨10.1016/j.future.2017.01.012⟩. ⟨hal-01516082⟩
- Christophe Pouzat, Andrew P. Davison, Konrad Hinsen. La recherche reproductible : une communication scientifique explicite. Statistique et Société, 2016, Deux débats sur les données, 3 (1). ⟨hal-01478360⟩
- Konrad Hinsen. The Power to Create Chaos. Computing in Science and Engineering, 2016, 18 (4), pp.75-79. ⟨10.1109/MCSE.2016.67⟩. ⟨hal-02071770⟩
- Konrad Hinsen, Gérald Kneller. Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories. The Journal of Chemical Physics, 2016, 145 (15), pp.151101-151106. ⟨10.1063/1.4965881⟩. ⟨hal-02154066⟩
- Gerald Kneller, Konrad Hinsen. Protein secondary-structure description with a coarse-grained model. Acta crystallographica Section D : Structural biology [1993-..], 2015, 71 (7), pp.1411-1422. ⟨10.1107/s1399004715007191⟩. ⟨hal-02072279⟩
- Konrad Hinsen. Technical Debt in Computational Science. Computing in Science and Engineering, 2015, 17 (6), pp.103-107. ⟨10.1109/MCSE.2015.113⟩. ⟨hal-02072258⟩
- Konrad Hinsen. The Approximation Tower in Computational Science: Why Testing Scientific Software Is Difficult. Computing in Science and Engineering, 2015, 17 (4), pp.72-77. ⟨10.1109/MCSE.2015.75⟩. ⟨hal-01171382⟩
- Konrad Hinsen. Writing Software Specifications. Computing in Science and Engineering, 2015, 17 (3), pp.54-61. ⟨10.1109/MCSE.2015.64⟩. ⟨hal-01171458⟩
- Konrad Hinsen, Aurore Vaitinadapoule, Mariano A. Ostuni, Catherine Etchebest, Jean-Jacques Lacapere. Construction and validation of an atomic model for bacterial TSPO from electron microscopy density, evolutionary constraints, and biochemical and biophysical data.. Biochimica et Biophysica Acta:Biomembranes, 2015, 1848 (2), pp.568-580. ⟨10.1016/j.bbamem.2014.10.028⟩. ⟨hal-01171268⟩
- Konrad Hinsen. ActivePapers: a platform for publishing and archiving computer-aided research.. F1000Research, 2015, pp.doi:10.12688/f1000research.5773.2. ⟨10.12688/f1000research.5773.2⟩. ⟨hal-01171263⟩
- Konrad Hinsen. MOSAIC: A Data Model and File Formats for Molecular Simulations. Journal of Chemical Information and Modeling, 2014, 54 (1), pp.131-137. ⟨10.1021/ci400599y⟩. ⟨hal-01179151⟩
- Konrad Hinsen. Computational science: shifting the focus from tools to models. F1000Research, 2014, 3, pp.101. ⟨10.12688/f1000research.3978.2⟩. ⟨hal-01175456⟩
- Konrad Hinsen. A Glimpse of the Future of Scientific Programming. Computing in Science and Engineering, 2013, 15 (1), pp.84-88. ⟨10.1109/MCSE.2013.1⟩. ⟨hal-00817458⟩
- Konrad Hinsen, Shuangwei Hu, Gerald R. Kneller, Antti J. Niemi. A comparison of reduced coordinate sets for describing protein structure. The Journal of Chemical Physics, 2013, 139 (12), pp.124115. ⟨10.1063/1.4821598⟩. ⟨hal-01528424⟩
- Konrad Hinsen. Daydreaming about Scientific Programming. Computing in Science and Engineering, 2013, 15 (5), pp.77-79. ⟨10.1109/MCSE.2013.104⟩. ⟨hal-02070862⟩
- Edvin Fuglebakk, Nathalie Reuter, Konrad Hinsen. Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions. Journal of Chemical Theory and Computation, 2013, 9 (12), pp.5618-5628. ⟨10.1021/ct400399x⟩. ⟨hal-02070831⟩
- Guillaume Chevrot, Konrad Hinsen, Gerald Kneller. Model-free simulation approach to molecular diffusion tensors. The Journal of Chemical Physics, 2013, 139 (15), pp.154110. ⟨10.1063/1.4823996⟩. ⟨hal-02070748⟩
- Konrad Hinsen. Software Development for Reproducible Research. Computing in Science and Engineering, 2013, 15 (4), pp.60-63. ⟨10.1109/MCSE.2013.91⟩. ⟨hal-02070857⟩
- Christopher Ing, Konrad Hinsen, Jing Yang, Toby Zeng, Hui Li, et al.. A path-integral Langevin equation treatment of low-temperature doped helium clusters.. The Journal of Chemical Physics, 2012, 136 (22), pp.224309-224312. ⟨10.1063/1.4726507⟩. ⟨hal-00726222⟩
- Konrad Hinsen, Eric Pellegrini, Sławomir Stachura, Gerald R Kneller. nMoldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations.. Journal of Computational Chemistry, 2012, 33 (25), pp.2043-2048. ⟨10.1002/jcc.23035⟩. ⟨hal-00721865⟩
- Konrad Hinsen. Caring for Your Data. Computing in Science and Engineering, 2012, 14 (6), pp.70-74. ⟨10.1109/MCSE.2012.108⟩. ⟨hal-00817362⟩
- Konrad Hinsen. Managing State. Computing in Science and Engineering, 2012, 14 (1), pp.80-86. ⟨10.1109/MCSE.2012.11⟩. ⟨hal-00726599⟩
- Alexandre Giuliani, Aleksandar R Milosavljević, Konrad Hinsen, Francis Canon, Christophe Nicolas, et al.. Structure and Charge-State Dependence of the Gas-Phase Ionization Energy of Proteins.. Angewandte Chemie International Edition, 2012, 51, epub ahead of print. ⟨10.1002/anie.201204435⟩. ⟨hal-00727349⟩
- Gerald R Kneller, Konrad Hinsen, Paolo Calligari. Communication: a minimal model for the diffusion-relaxation backbone dynamics of proteins.. The Journal of Chemical Physics, 2012, 136 (19), pp.191101. ⟨10.1063/1.4718380⟩. ⟨hal-00726225⟩
- Guillaume Chevrot, Paolo Calligari, Konrad Hinsen, Gerald R Kneller. Least constraint approach to the extraction of internal motions from molecular dynamics trajectories of flexible macromolecules.. The Journal of Chemical Physics, 2011, 135 (8), pp.084110. ⟨10.1063/1.3626275⟩. ⟨hal-00720598⟩
- Vania Calandrini, E. Pellegrini, Paolo Calligari, Konrad Hinsen, Gerald R. Kneller. nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions. Collection SFN, 2011, 12, pp.201-232. ⟨10.1051/sfn/201112010⟩. ⟨hal-00720549⟩
- G.K. Thiruvathukal, Konrad Hinsen, Konstantin Laufer, Joe Kaylor. Virtualization for computational scientists. Computing in Science and Engineering, 2010, 12 (4), pp.52-61. ⟨10.1109/MCSE.2010.92⟩. ⟨hal-00602510⟩
- Konrad Hinsen. Computer code: incentives needed. Nature, 2010, 468, pp.370. ⟨10.1038/468037b⟩. ⟨hal-00726320⟩
- Konrad Hinsen. A scientific model for free will is impossible. Proceedings of the National Academy of Sciences of the United States of America, 2010, 107 (38), pp.E149. ⟨10.1073/pnas.1010609107⟩. ⟨hal-00602371⟩
- Konrad Hinsen. Economic growth: indicators not targets.. Nature, 2010, 468, pp.897. ⟨10.1038/468897a⟩. ⟨hal-00726312⟩
- Konrad Hinsen, Konstantin Laeufer, K. Thiruvathukal George. Essential tools: version control systems. Computing in Science and Engineering, 2009, 11 (6), pp.84-90. ⟨hal-00522455⟩
- Konrad Hinsen. Physical arguments for distance-weighted interactions in elastic network models for proteins. Proceedings of the National Academy of Sciences of the United States of America, 2009, 106 (45), pp.E128. ⟨10.1073/pnas.0909385106⟩. ⟨hal-00522452⟩
- Konrad Hinsen. The promises of functional programming. Computing in Science and Engineering, 2009, 11 (4), pp.86-90. ⟨10.1109/MCSE.2009.129⟩. ⟨hal-00522448⟩
- Gerald R. Kneller, Konrad Hinsen. Quantitative model for the heterogeneity of atomic position fluctuations in proteins: A simulation study. The Journal of Chemical Physics, 2009, 131 (4), pp.045104. ⟨10.1063/1.3170941⟩. ⟨hal-00522467⟩
- Konrad Hinsen. Structural flexibility in proteins: impact of the crystal environment. Bioinformatics, 2008, 24 (4), pp.521-528. ⟨10.1093/bioinformatics/btm625⟩. ⟨hal-00283340⟩
- Konrad Hinsen, Gérald Kneller. Solvent effects in the slow dynamics of proteins. Proteins - Structure, Function and Bioinformatics, 2008, 70 (4), pp.1235-1242. ⟨10.1002/prot.21655⟩. ⟨hal-00176279⟩
- V. Calandrini, V. Hamon, K. Hinsen, P. Calligari, M.-C. Bellissent-Funel, et al.. Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering. Chemical Physics, 2008, 345 (2-3), pp.289-297. ⟨10.1016/j.chemphys.2007.07.018⟩. ⟨hal-00408024⟩
- Gerald R. Kneller, Konrad Hinsen, Godehard Sutmann, Vania Calandrini. Scaling laws and memory effects in the dynamics of liquids and proteins. 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⟩. ⟨hal-00518138⟩
- Konrad Hinsen. Parallel scripting with python. Computing in Science and Engineering, 2007, 9 (6), pp.82-89. ⟨hal-00282403⟩
- K. Hinsen, H.P. Langtangen, O. Skavhaug, A. Odegard. Using BSP and Python to simplify parallel programming. Future Generation Computer Systems, 2006, 22, pp.123-157. ⟨10.1016/j.future.2003.09.003⟩. ⟨hal-00088866⟩
- Konrad Hinsen. Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”. Proteins - Structure, Function and Bioinformatics, 2006, 64 (3), pp.795-797. ⟨10.1002/prot.20900⟩. ⟨hal-02159753⟩
- Véronique Hamon, Paolo Calligari, Konrad Hinsen, Gerald R. Kneller. Simulation studies of structural changes and relaxation processes in lysozyme under pressure. Journal of Non-Crystalline Solids, 2006, 352 (42-49), pp.4417-4423. ⟨10.1016/j.jnoncrysol.2006.01.141⟩. ⟨hal-00388010⟩
- Konrad Hinsen, Nathalie Reuter, Jorge Navaza, David L. Stokes, Jean-Jacques Lacapère. Normal mode based fitting of atomic structure into electron density maps: application to SR Ca-ATPase. Biophysical Journal, 2005, 88, pp.818. ⟨10.1529/biophysj.104.050716⟩. ⟨hal-00015408⟩
- Gerald Kneller, Konrad Hinsen. Fractional Brownian dynamics in proteins. The Journal of Chemical Physics, 2004, 121, pp.10278. ⟨10.1063/1.1806134⟩. ⟨hal-00015422⟩
- T. Róg, K. Murzyn, Konrad Hinsen, G. Kneller. n Moldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations. Journal of Computational Chemistry, 2003, 24 (5), pp.657-667. ⟨10.1002/jcc.10243⟩. ⟨hal-02154080⟩
- Nathalie Reuter, Konrad Hinsen, Jean-Jacques Lacapère. Transconformations of the SERCA1 Ca-ATPase: A Normal Mode Study. Biophysical Journal, 2003, 85, pp.2186. ⟨10.1016/S0006-3495(03)74644-X⟩. ⟨hal-00015419⟩
- G. Kneller, Konrad Hinsen, G. Sutmann. Mass and size effects on the memory function of tracer particles. The Journal of Chemical Physics, 2003, 118 (12), pp.5283-5286. ⟨10.1063/1.1562620⟩. ⟨hal-02154086⟩
- Konrad Hinsen. High-Level Parallel Software Development with Python and BSP. Parallel Processing Letters, 2003, 13, pp.473. ⟨10.1142/S0129626403001434⟩. ⟨hal-00015424⟩
- K. Hinsen, A.J. Petrescu, S. Dellerue, M.C. Bellissent-Funel, Kneller Gr.. Liquid-like and solid-like motions in proteins. Journal of Molecular Liquids, 2002, 98-99, pp.383-400. ⟨10.1016/S0167-7322(01)00341-5⟩. ⟨hal-00114769⟩
- G. Kneller, Konrad Hinsen. Computing memory functions from molecular dynamics simulations. The Journal of Chemical Physics, 2001, 115 (24), pp.11097-11105. ⟨10.1063/1.1421361⟩. ⟨hal-02155436⟩
- Konrad Hinsen. The molecular modeling toolkit: A new approach to molecular simulations. Journal of Computational Chemistry, 2000, 21 (2), pp.79-85. 3.0.CO;2-B">⟨10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B⟩. ⟨hal-02159757⟩
- Konrad Hinsen, Gérald Kneller. Projection Methods for the Analysis of Complex Motions in Macromolecules. Molecular Simulation, 2000, 23 (4-5), pp.275-292. ⟨10.1080/08927020008025373⟩. ⟨hal-02155531⟩
- D. Viduna, Konrad Hinsen, G. Kneller. Influence of molecular flexibility on DNA radiosensitivity: a simulation study. Physical Review E , 2000, 62 (3 Pt B), pp.3986-3990. ⟨10.1103/PhysRevE.62.3986⟩. ⟨hal-02155461⟩
- Konrad Hinsen, Andrei-Jose Petrescu, Serge Dellerue, Marie-Claire Bellissent-Funel, Gérald Kneller. Harmonicity in slow protein dynamics. Chemical Physics, 2000, 261 (1-2), pp.25-37. ⟨10.1016/S0301-0104(00)00222-6⟩. ⟨hal-02155521⟩
- Olivier Roche, Konrad Hinsen, Martin Field. Theoretical study of the conformation of the H-protein lipoamide arm as a function of its terminal group. Proteins: Structure, Function, and Genetics, 1999, 36 (2), pp.228-237. 3.0.CO;2-Q">⟨10.1002/(SICI)1097-0134(19990801)36:2<228::AID-PROT8>3.0.CO;2-Q⟩. ⟨hal-02159759⟩
- Konrad Hinsen, Aline Thomas, Martin Field. Analysis of domain motions in large proteins. Proteins: Structure, Function, and Genetics, 1999, 34 (3), pp.369-382. 3.0.CO;2-F">⟨10.1002/(SICI)1097-0134(19990215)34:3<369::AID-PROT9>3.0.CO;2-F⟩. ⟨hal-02159761⟩
- D. Thomas, Konrad Hinsen, Martin Field, David Perahia, Aline Thomas. Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study. Proteins: Structure, Function, and Genetics, 1999, 34 (1), pp.96-112. 3.0.CO;2-0">⟨10.1002/(SICI)1097-0134(19990101)34:1<96::AID-PROT8>3.0.CO;2-0⟩. ⟨hal-02159763⟩
- Konrad Hinsen, Gérald Kneller. A simplified force field for describing vibrational protein dynamics over the whole frequency range. The Journal of Chemical Physics, 1999, 111 (24), pp.10766-10769. ⟨10.1063/1.480441⟩. ⟨hal-02155539⟩
- Konrad Hinsen. Analysis of domain motions by approximate normal mode calculations. Proteins: Structure, Function, and Genetics, 1998, 33 (3), pp.417-429. 3.0.CO;2-8">⟨10.1002/(SICI)1097-0134(19981115)33:3<417::AID-PROT10>3.0.CO;2-8⟩. ⟨hal-02159766⟩
- Omar Sharafeddin, Konrad Hinsen, Tucker Carrington, Benoît Roux. Mixing quantum-classical molecular dynamics methods applied to intramolecular proton transfer in acetylacetone. Journal of Computational Chemistry, 1997, 18 (14), pp.1760-1772. 3.0.CO;2-I">⟨10.1002/(SICI)1096-987X(19971115)18:14<1760::AID-JCC5>3.0.CO;2-I⟩. ⟨hal-02159768⟩
- Konrad Hinsen, Benoît Roux. Potential of mean force and reaction rates for proton transfer in acetylacetone. The Journal of Chemical Physics, 1997, 106 (9), pp.3567-3577. ⟨10.1063/1.473439⟩. ⟨hal-02159771⟩
- Konrad Hinsen, Benoît Roux. A potential function for computer simulation studies of proton transfer in acetylacetone. Journal of Computational Chemistry, 1997, 18 (3), pp.368-380. 3.0.CO;2-S">⟨10.1002/(SICI)1096-987X(199702)18:3<368::AID-JCC7>3.0.CO;2-S⟩. ⟨hal-02159788⟩
- Konrad Hinsen, Gérald Kneller. Sedimentation of Clusters of Spheres. I. Unconstrained. Journal of Molecular Modeling, 1996, 2 (9), pp.227-238. ⟨10.1007/s0089460020227⟩. ⟨hal-02155706⟩
- Gérald Kneller, Konrad Hinsen. Sedimentation of Clusters of Spheres II. Constrained systems. Journal of Molecular Modeling, 1996, 2 (9), pp.239-250. ⟨10.1007/s0089460020239⟩. ⟨hal-02155702⟩
- Paul Dubois, Konrad Hinsen, James Hugunin. Numerical Python. Computers in Physics, 1996, 10 (3), pp.262. ⟨10.1063/1.4822400⟩. ⟨hal-02159793⟩
- B. Cichocki, K. Hinsen. Stokes drag on conglomerates of spheres. Physics of Fluids, 1995, 7 (2), pp.285-291. ⟨10.1063/1.868626⟩. ⟨hal-02159864⟩
- Konrad Hinsen, Gérald Kneller. Influence of constraints on the dynamics of polypeptide chains.. Physical Review E , 1995, 52 (6), pp.6868-6874. ⟨10.1103/PhysRevE.52.6868⟩. ⟨hal-02155715⟩
- K. Hinsen. HYDROLIB: a library for the evaluation of hydrodynamic interactions in colloidal suspensions. Computer Physics Communications, 1995, 88 (2-3), pp.327-340. ⟨10.1016/0010-4655(95)00029-F⟩. ⟨hal-02159867⟩
- Gérald Kneller, Konrad Hinsen. Generalized Euler equations for linked rigid bodies.. Physical Review E , 1994, 50 (2), pp.1559-1564. ⟨10.1103/PhysRevE.50.1559⟩. ⟨hal-02155721⟩
- B. Cichocki, B. Felderhof, K. Hinsen, E. Wajnryb, J. Bl/awzdziewicz. Friction and mobility of many spheres in Stokes flow. The Journal of Chemical Physics, 1994, 100 (5), pp.3780-3790. ⟨10.1063/1.466366⟩. ⟨hal-02159862⟩
- K. Hinsen, A. Bratz, B. Felderhof. Nonlinear dielectric constant of nonpolar fluids. The Journal of Chemical Physics, 1992, 97 (12), pp.9299-9302. ⟨10.1063/1.463305⟩. ⟨hal-02159857⟩
- K. Hinsen, B. Felderhof. Dielectric constant of a suspension of uniform spheres. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1992, 46 (20), pp.12955-12963. ⟨10.1103/physrevb.46.12955⟩. ⟨hal-02159854⟩
- B. Cichocki, K. Hinsen. Dynamic computer simulation of concentrated hard sphere suspensions II. Re-analysis of mean square displacement data. Physica A: Statistical Mechanics and its Applications, 1992, 187 (1-2), pp.133-144. ⟨10.1016/0378-4371(92)90414-L⟩. ⟨hal-02159834⟩
- K. Hinsen, B. Felderhof. Reduced description of electric multipole potential in Cartesian coordinates. Journal of Mathematical Physics, 1992, 33 (11), pp.3731-3735. ⟨10.1063/1.529869⟩. ⟨hal-02159851⟩
- K. Hinsen, A. Bratz, B. Felderhof. Anisotropic dielectric tensor and the Hall effect in a suspension of spheres. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1992, 46 (23), pp.14995-15003. ⟨10.1103/physrevb.46.14995⟩. ⟨hal-02159856⟩
- K. Hinsen, B. Felderhof. Dielectric constant of a hard‐sphere fluid with induced dipoles and quadrupoles. The Journal of Chemical Physics, 1991, 94 (8), pp.5655-5662. ⟨10.1063/1.460476⟩. ⟨hal-02159835⟩
- B. Cichocki, K. Hinsen. Dynamic computer simulation of concentrated hard sphere suspensions I. Simulation technique and mean square displacement data. Physica A: Statistical Mechanics and its Applications, 1990, 166 (3), pp.473-491. ⟨10.1016/0378-4371(90)90068-4⟩. ⟨hal-02159842⟩
- B. Cichocki, B.U. Felderhof, Konrad Hinsen. Electrostatic interactions in periodic Coulomb and dipolar systems. Physical Review A, 1989, 39 (10), pp.5350-5358. ⟨10.1103/PhysRevA.39.5350⟩. ⟨hal-02159845⟩
Communication dans un congrès
- Konrad Hinsen. Redressing the Balance: A Yin-Yang Perspective on Information Technology. 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⟩. ⟨hal-04743587⟩
- Konrad Hinsen. La reproductibilité des calculs coûteux. Reproductibilité de la Recherche, May 2021, Virtual, France. pp.11-14, ⟨10.48556/SIF.1024.18.11⟩. ⟨hal-03471914⟩
- Konrad Hinsen. Les enjeux et défis de la recherche reproductible. Journée ARAMIS 2019, May 2019, Lyon, France. ⟨hal-03010180⟩
- Konrad Hinsen, Serge Stinckwich. Building a scientific workbench in Pharo. International Workshop on Smalltalk Technologies, Aug 2019, Cologne, Germany. ⟨hal-02533110⟩
- Nicolas P. Rougier, Konrad Hinsen. ReScience C: A Journal for Reproducible Replications in Computational Science. 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⟩. ⟨hal-02199854⟩
- Konrad Hinsen. The long road from ideas to bits and back: a traveller’s guide to verifiable computational research. 2nd Meeting on Testing and Verification for Computational Science, Mar 2017, Cambridge, United Kingdom. ⟨hal-02999210⟩
- Konrad Hinsen. The stuff that proteins are made of: physical properties of folded peptide chains. Physics and Biology of Proteins, International Institute of Physics, Jun 2017, Natal, Brazil. ⟨hal-02999195⟩
- Konrad Hinsen. La chaîne peptidique repliée comme matériau de construction. Journée Modes Normaux, May 2017, Paris, France. ⟨hal-03010297⟩
- Konrad Hinsen. Enjeux et défis de la recherche reproductible. Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France. ⟨hal-03010269⟩
- Konrad Hinsen, Nicolas P. Rougier. ReScience. Open science, transparence et évaluation. Perspectives et enjeux pour les chercheurs, URFIST Bordeaux, Apr 2017, Bordeaux, France. ⟨hal-01573262⟩
- Konrad Hinsen. La reproductibilité des calculs numériques en HPC : problèmes et solutions existantes. Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France. ⟨hal-03010231⟩
- Konrad Hinsen. Séminaire invité : Leibniz: A Digital Scientific Notation. Séminaire IRILL, Nov 2016, Paris, France. ⟨hal-02999103⟩
- Konrad Hinsen, Nicolas P. Rougier. ReScience. Retour d’expéRiences sur la Recherche Reproductible, Konrad HINSEN, Andrew DAVISON, Christophe POUZAT, Dec 2015, Orléans, France. ⟨hal-01237835⟩
- Alexandre Giuliani, Alexandre R. Milosavljević, Konrad Hinsen, Francis Canon, Christophe Nicolas, et al.. Ionization energy of gas phase protein cations and its dependence on charge state_and structure. Synchrotron SOLEIL Users Meeting, Jan 2013, Orsay, France. ⟨hal-01573564⟩
- Konrad Hinsen. A data and code model for reproducible research and executable papers. International Conference on Computational Science, Jun 2011, Singapour, Singapore. pp.579, ⟨10.1016/j.procs.2011.04.061⟩. ⟨hal-00626032⟩
Ouvrage (y compris édition critique et traduction)
- Konrad Hinsen. Computation in Science (Second Edition). IOP Publishing, 2020, 978-0-7503-3285-9. ⟨10.1088/978-0-7503-3287-3⟩. ⟨hal-02980483⟩
- Konrad Hinsen. Computation in Science. IOP Publishing, 2015. ⟨hal-02159886⟩
- Konrad Hinsen. Effektive elektrostatische Eigenschaften von Suspensionen. B.U. Felderhof; P. Grosse; A. Stahl. Verlag der Augustinus-Buchhandlung, 1992, Aachener Beiträge zur Physik der kondensierten Materie, 3-86073-050-9. ⟨hal-02171820⟩
Chapitre d'ouvrage
- Konrad Hinsen. Problem-Specific Analysis of Molecular Dynamics Trajectories for Biomolecules. 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⟩. ⟨hal-02071690⟩
- Konrad Hinsen, Edward Beaumont, Bertrand Fournier, Jean-Jacques Lacapère. From electron microscopy maps to atomic structures using normal mode-based fitting. 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⟩. ⟨hal-00610003⟩
- Konrad Hinsen. Normal mode theory and harmonic potential approximations. 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⟩. ⟨hal-02159881⟩
Autre publication
- Konrad Hinsen. Reproducibility and replicability of computer simulations. 2024. ⟨hal-04621140⟩
- Gérald Kneller, Konrad Hinsen. Code and data for: Memory effects in a random walk description of protein structure ensembles. 2019, ⟨10.5281/zenodo.2549987⟩. ⟨hal-03010373⟩
- Konrad Hinsen. Make computer-aided research more verifiable Journal of Brief Ideas. 2016. ⟨hal-02999034⟩
- Konrad Hinsen. Commentary: Scientific communication in the digital age. 2016, pp.10-11. ⟨10.1063/PT.3.3181⟩. ⟨hal-02159751⟩
Pré-publication, Document de travail
- Konrad Hinsen. Science in the digital era. 2024. ⟨hal-04762424⟩
- Konrad Hinsen. Science in the digital era. 2023. ⟨hal-04199204⟩
- Konrad Hinsen. Establishing trust in automated reasoning. 2023. ⟨hal-04190232⟩
- Konrad Hinsen. Science in the digital era. 2022. ⟨hal-03807734⟩
- Raphaëlle Krummeich, Sébastien Rey-Coyrehourcq, Hugues Pecout, Konrad Hinsen, Pierre Poulain, et al.. Le notebook. Une forme intelligible du numérique ? Un objet écosophique ?. 2022. ⟨halshs-04019870⟩
Rapport
- Céline Acary-Robert, Emmanuel Agullo, Ludovic Courtès, Marek Felšöci, Konrad Hinsen, et al.. Guix-HPC Activity Report 2022–2023. Inria Bordeaux - Sud Ouest. 2024, pp.1-32. ⟨hal-04500140⟩
- Pierre-Antoine Bouttier, Ludovic Courtès, Yann Dupont, Marek Felšöci, Felix Gruber, et al.. Guix-HPC Activity Report 2020-2021. [Technical Report] Inria Bordeaux - Sud-Ouest; Université Grenoble - Alpes; Université Paris. 2022. ⟨hal-03565692⟩
- Ludovic Courtès, Paul Garlick, Konrad Hinsen, Pjotr Prins, Ricardo Wurmus. Guix-HPC Activity Report 2018–2019. [Technical Report] Inria Bordeaux Sud-Ouest; Tourbillion Technology; Synchrotron SOLEIL; Health Science Center; Max Delbrück Center for Molecular Medicine. 2020. ⟨hal-02485338⟩
Documents récupérés de l'archive ouverte HAL 