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On the Performance and Energy Consumption of Molecular Dynamics Applications for Heterogeneous CPU-GPU Platforms Based on Gromacs Cover

On the Performance and Energy Consumption of Molecular Dynamics Applications for Heterogeneous CPU-GPU Platforms Based on Gromacs

Open Access
|Jan 2018

References

  1. 1. D’Hollander, E. H., J. J. Dongarra, I. Foster, L. Grandinetti, G. R. Jouber t. Transition of HpcTowards Exascale Computing (Advances in Parallel COmputing), IOS Press, 2013, p. 232.
  2. 2. Alder, B., T. Wainwright. Studies in Molecular Dynamics. I. General Method. - J. Chem. Phys., Vol. 31, 1959, No 2, 459.10.1063/1.1730376
  3. 3. Tuckerman, M., G. Martyn a. Understanding Modern Molecular Dynamics Methods: Techniques and Applications. - J. Phys. Chem., Vol. 104, 2000, No 2, pp. 159-178. 10.1021/jp992433y
  4. 4. Poghosyan, A. H., L. H. Arsenyan, H. V. Astsatry a n. Dynamic Features of Complex Systems: A Molecular Simulation Study. - Modeling and Optimization in Science and Technologies. Vol. 2, 2014, pp. 117-121.10.1007/978-3-319-01520-0_14
  5. 5. Poghosyan, A. H., H. V. Astsatryan, A. A. Shahinya n. Parallel Peculiarities and Performance of GROMACS Package on HPC Platforms. - International Journal of Scientific and Engineering Research, Vol. 4, 2013, No 12, pp. 1755-1761.
  6. 6. Karapetian, A. T., Z. A. Grigoryan, Y. S. Mamasakhlisov, M. V. Minasyants, P. O. Vardevan y a n. Theoretical Treatment of Helix-Coil Transition of Complexes DNA with Two Different Ligands Having Different Binding Parameters. - Journal of Biomolecular Structure and Dynamics, Vol. 34, 2016, No 1, pp. 201-205.10.1080/07391102.2015.1010584
  7. 7. Otzen, D. E. Protein-Surfactant Interactions: A Tale of Many States. - Biochim. Biophys. Acta, Vol. 1814, 2011, No 5, pp. 562-591.
  8. 8. Jones, M. N. A Theoretical Approach to the Binding of Amphipathic Molecules to Globular Proteins. - Biochem. J., Vol. 151, 1975, No 1, pp. 109-114.10.1042/bj1510109
  9. 9. Ivnitski, D., I. AbdelHamid, P. Atanasov, E. Wilkins. Biosensors for Detection of Pathogenic Bacteria. - Biosensors and Bioelectronics, Vol. 14, 1999, No 7, pp. 599-624.10.1016/S0956-5663(99)00039-1
  10. 10. Gao, Y., L. K. Wolf, R. M. Georgiad i s. Secondary Structure Effects on DNA Hybridization Kinetics: A Solution Versus Surface Comparison. - Nucleic Acids Res., Vol. 34, 2006, No 11, pp. 3370-3377.10.1093/nar/gkl422148888416822858
  11. 11. Morrison, L. E., L. M. Stols. Sensitive Fluorescence-Basedthermodynamic and Kinetic Measurements of DNA Hybridization in Solution. - Biochemistry, Vol. 32, 1993, No 12, pp. 3095-3104.10.1021/bi00063a0228457571
  12. 12. Azam, M. S., J. M. Gibbs- Davis. Monitoring DNA Hybridization and Thermal Dissociation at the Silica/Water Interface Using Resonantly Enhanced Second Harmonic Generation Spectroscopy. - Analyt. Chem., Vol. 85, 2013, No 17, pp. 8031-8038.10.1021/ac401009u23927789
DOI: https://doi.org/10.1515/cait-2017-0056 | Journal eISSN: 1314-4081 | Journal ISSN: 1311-9702
Language: English
Page range: 68 - 80
Published on: Jan 16, 2018
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year

© 2018 Armen Poghosyan, Hrachya Astsatryan, Wahi Narsisian, Yevgeni Mamasakhlisov, published by Bulgarian Academy of Sciences, Institute of Information and Communication Technologies
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.