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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

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 istex hal-02159768v1

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 istex hal-02155706v1

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

Konrad Hinsen , Benoît Roux
Journal of Chemical Physics, 1997, 106 (9), pp.3567-3577. ⟨10.1063/1.473439⟩
Journal articles hal-02159771v1
Image document

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
Image document

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
Image document

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
Image document

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

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

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
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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⟩
Journal articles hal-02071770v1
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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⟩
Journal articles hal-02340398v1
Image document

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
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Establishing trust in automated reasoning

Konrad Hinsen
Preprints, Working Papers, ... hal-04190232v1
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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⟩
Journal articles hal-02155715v1
Image document

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

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 istex hal-00114769v1

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

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

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
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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
Reports hal-02485338v1

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
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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⟩
Journal articles hal-00602510v1

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

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 istex hal-02072279v1
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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⟩
Journal articles hal-04148865v1
Image document

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

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 istex hal-00176279v1

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