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Page 1
First-Principles Simulations of Biological Molecules Subjected to Ionizing Radiation.
Annu Rev Phys Chem. 2021 Apr 20;72:445-465. doi: 10.1146/annurev-physchem-101419-013639.
Annu Rev Phys Chem. 2021.
PMID: 33878897
Review.
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review.
de la Lande A, Alvarez-Ibarra A, Hasnaoui K, Cailliez F, Wu X, Mineva T, Cuny J, Calaminici P, López-Sosa L, Geudtner G, Navizet I, Garcia Iriepa C, Salahub DR, Köster AM.
de la Lande A, et al. Among authors: hasnaoui k.
Molecules. 2019 Apr 26;24(9):1653. doi: 10.3390/molecules24091653.
Molecules. 2019.
PMID: 31035516
Free PMC article.
Review.
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The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations.
Alvarez-Ibarra A, Parise A, Hasnaoui K, de la Lande A.
Alvarez-Ibarra A, et al. Among authors: hasnaoui k.
Phys Chem Chem Phys. 2020 Apr 15;22(15):7747-7758. doi: 10.1039/d0cp00165a.
Phys Chem Chem Phys. 2020.
PMID: 32236260
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