HINSEN Konrad

email : konrad.hinsen[remplacer_par_at]cnrs-orleans.fr

Phone : +33 2.38.25.78.42

Researcher and co-coordinator of the thematic group “Statistical and computational physics of biomolecular systems”

127 documents

Article dans une revue97 documents

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⟩
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] Structural flexibility in proteins -impact of the crystal environment. The ReScience journal, 2020, ⟨10.5281/zenodo.3886447⟩. ⟨hal-02877351⟩
Konrad Hinsen. [¬Rp] Stokes drag on conglomerates of spheres. The ReScience journal, 2020, ⟨10.5281/zenodo.3889694⟩. ⟨hal-02877342⟩
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. A carrot not a stick. Nature Physics, 2019, pp.727-727. ⟨10.1038/s41567-019-0627-0⟩. ⟨hal-02265732⟩
Konrad Hinsen. Dealing With Software Collapse. Computing in Science and Engineering, 2019, 21 (3), pp.104-108. ⟨10.1109/MCSE.2019.2900945⟩. ⟨hal-02117588⟩
Gerald R. Kneller, Konrad Hinsen. Memory effects in a random walk description of protein structure ensembles. Journal of Chemical Physics, 2019, 150 (6), pp.064911. ⟨10.1063/1.5054887⟩. ⟨hal-02117662⟩
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. Reusable vs. re-editable code. Computing in Science and Engineering, 2018, 20 (3), pp.78-83. ⟨10.1109/MCSE.2018.03202636⟩. ⟨hal-01966146⟩
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⟩
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. 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⟩
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⟩
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⟩
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, Gérald Kneller. Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories. Journal of Chemical Physics, 2016, 145 (15), pp.151101-151106. ⟨10.1063/1.4965881⟩. ⟨hal-02154066⟩
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, 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. 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⟩
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. 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. Writing Software Specifications. Computing in Science and Engineering, 2015, 17 (3), pp.54-61. ⟨10.1109/MCSE.2015.64⟩. ⟨hal-01171458⟩
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. 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⟩
Konrad Hinsen, Shuangwei Hu, Gerald R. Kneller, Antti J. Niemi. A comparison of reduced coordinate sets for describing protein structure. Journal of Chemical Physics, 2013, 139 (12), pp.124115. ⟨10.1063/1.4821598⟩. ⟨hal-01528424⟩
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. Software Development for Reproducible Research. Computing in Science and Engineering, 2013, 15 (4), pp.60-63. ⟨10.1109/MCSE.2013.91⟩. ⟨hal-02070857⟩
Guillaume Chevrot, Konrad Hinsen, Gerald Kneller. Model-free simulation approach to molecular diffusion tensors. Journal of Chemical Physics, 2013, 139 (15), pp.154110. ⟨10.1063/1.4823996⟩. ⟨hal-02070748⟩
Christopher Ing, Konrad Hinsen, Jing Yang, Toby Zeng, Hui Li, et al.. A path-integral Langevin equation treatment of low-temperature doped helium clusters.. Journal of Chemical Physics, 2012, 136 (22), pp.224309-224312. ⟨10.1063/1.4726507⟩. ⟨hal-00726222⟩
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.. Journal of Chemical Physics, 2012, 136 (19), pp.191101. ⟨10.1063/1.4718380⟩. ⟨hal-00726225⟩
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, 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⟩
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⟩
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.. Journal of Chemical Physics, 2011, 135 (8), pp.084110. ⟨10.1063/1.3626275⟩. ⟨hal-00720598⟩
Konrad Hinsen. Economic growth: indicators not targets.. Nature, 2010, 468, pp.897. ⟨10.1038/468897a⟩. ⟨hal-00726312⟩
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⟩
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. 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⟩
Gerald R. Kneller, Konrad Hinsen. Quantitative model for the heterogeneity of atomic position fluctuations in proteins: A simulation study. Journal of Chemical Physics, 2009, 131 (4), pp.045104. ⟨10.1063/1.3170941⟩. ⟨hal-00522467⟩
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⟩
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⟩
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, 2008, 5 (3), pp.189-195. ⟨10.1134/S1547477108030114⟩. ⟨hal-00518138⟩
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⟩
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⟩
Konrad Hinsen. Parallel scripting with python. Computing in Science and Engineering, 2007, 9 (6), pp.82-89. ⟨hal-00282403⟩
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⟩
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, 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. 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. 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. Journal of Chemical Physics, 2001, 115 (24), pp.11097-11105. ⟨10.1063/1.1421361⟩. ⟨hal-02155436⟩
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⟩
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⟩
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. 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, 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⟩
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⟩
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. 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⟩
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⟩
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. Journal of Chemical Physics, 1997, 106 (9), pp.3567-3577. ⟨10.1063/1.473439⟩. ⟨hal-02159771⟩
Paul Dubois, Konrad Hinsen, James Hugunin. Numerical Python. Computers in Physics, 1996, 10 (3), pp.262. ⟨10.1063/1.4822400⟩. ⟨hal-02159793⟩
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⟩
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⟩
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⟩
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⟩
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⟩
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. Journal of Chemical Physics, 1994, 100 (5), pp.3780-3790. ⟨10.1063/1.466366⟩. ⟨hal-02159862⟩
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⟩
K. Hinsen, A. Bratz, B. Felderhof. Nonlinear dielectric constant of nonpolar fluids. Journal of Chemical Physics, 1992, 97 (12), pp.9299-9302. ⟨10.1063/1.463305⟩. ⟨hal-02159857⟩
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⟩
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, B. Felderhof. Dielectric constant of a hard‐sphere fluid with induced dipoles and quadrupoles. 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 congrès14 documents

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 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. Enjeux et défis de la recherche reproductible. Journée MaDICS-ReproVirtuFlow 2017, Dec 2017, Gif-sur-Yvette, France. ⟨hal-03010269⟩
Konrad Hinsen. La chaîne peptidique repliée comme matériau de construction. Journée Modes Normaux, May 2017, Paris, France. ⟨hal-03010297⟩
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. 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, 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. Séminaire invité : Leibniz: A Digital Scientific Notation. Séminaire IRILL, Nov 2016, Paris, France. ⟨hal-02999103⟩
Konrad Hinsen, Nicolas P. Rougier. ReScience: Reproducible Science is good. Replicated Science is better.. 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)3 documents

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'ouvrage3 documents

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 publication3 documents

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 travail4 documents

Konrad Hinsen. Science in the digital era. 2023. ⟨hal-04199204⟩
Konrad Hinsen. Establishing trust in automated reasoning. 2023. ⟨hal-04190232⟩
Raphaëlle Krummeich, Sébastien Rey-Coyrehourcq, Hugues Pecout, Konrad Hinsen, Pierre Poulain, et al.. Le notebook. Une forme intelligible du numérique ? Un objet écosophique ? : Ébauche de proposition d’une approche épisémologique de la question FAIR(E) par la pratique.. 2022. ⟨halshs-04019870⟩
Konrad Hinsen. Science in the digital era. 2022. ⟨hal-03807734⟩

Rapport3 documents

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: Reproducible software deployment for high-performance computing. [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⟩

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