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Bibliography

Publications of the year

Doctoral Dissertations and Habilitation Theses

Articles in International Peer-Reviewed Journals

  • 2P. Buslaev, V. I. Gordeliy, S. Grudinin, I. Y. Gushchin.
    Principal component analysis of lipid molecule conformational changes in molecular dynamics simulations, in: Journal of Chemical Theory and Computation, January 2016. [ DOI : 10.1021/acs.jctc.5b01106 ]
    https://hal.inria.fr/hal-01258167
  • 3L. Debreu, E. Neveu, E. Simon, F.-X. Le Dimet, A. Vidard.
    Multigrid solvers and multigrid preconditioners for the solution of variational data assimilation problems, in: Quarterly Journal of the Royal Meteorological Society, September 2015. [ DOI : 10.1002/qj.2676 ]
    https://hal.inria.fr/hal-01246349
  • 4S. Grudinin, P. Popov, E. Neveu, G. Cheremovskiy.
    Predicting Binding Poses and Affinities in the CSAR 2013―2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential, in: Journal of Chemical Information and Modeling, 2015. [ DOI : 10.1021/acs.jcim.5b00339 ]
    https://hal.inria.fr/hal-01258022
  • 5P. Popov, S. Grudinin.
    Knowledge of Native Protein–Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates, in: Journal of Chemical Information and Modeling, September 2015, vol. 55, no 10, pp. 2242–2255. [ DOI : 10.1021/acs.jcim.5b00372 ]
    https://hal.inria.fr/hal-01229886
  • 6D. W. Ritchie, S. Grudinin.
    Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry, in: Journal of Applied Crystallography, February 2016, vol. 49, no 1, pp. 158-167. [ DOI : 10.1107/S1600576715022931 ]
    https://hal.inria.fr/hal-01261402

Other Publications

References in notes
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    Emergence of nanomedical devices for the diagnosis and treatment of cancer: the journey from basic science to commercialization, in: International Journal of Technology Transfer and Commercialisation, 2008, vol. 7, no 4, pp. 290-307.
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    PIPER: an FFT-based protein docking program with pairwise potentials, in: Proteins: Structure, Function, and Bioinformatics, 2006, vol. 65, no 2, pp. 392–406.
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    Knowledge of Native Protein–Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates, in: Journal of chemical information and modeling, 2015, vol. 55, no 10, pp. 2242–2255.
  • 59P. Popov, D. W. Ritchie, S. Grudinin.
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