@article {2019|2107,
	title = {Nonequilibrium atomistic molecular dynamics simulation of tubular nanomotor propelled by bubble propulsion},
	journal = {The Journal of chemical physics},
	volume = {151},
	year = {2019},
	pages = {024103},
	author = {Man, Viet Hoang and Li, Mai Suan and Wang, Junmei and Philippe Derreumaux and Phuong Hoang Nguyen}
}
@article {2016|1703,
	title = {Nonequilibrium all-atom molecular dynamics simulation of the bubble cavitation and application to dissociate amyloid fibrils},
	journal = {J. Chem. Phys.},
	volume = {145},
	number = {17},
	year = {2016},
	month = {nov},
	abstract = {The cavitation of gas bubbles in liquids has been applied to different disciplines in life and natural sciences, and in technologies. To obtain an appropriate theoretical description of effects induced by the bubble cavitation, we develop an all-atom nonequilibrium molecular-dynamics simulation method to simulate bubbles undergoing harmonic oscillation in size. This allows us to understand the mechanism of the bubble cavitation-induced liquid shear stress on surrounding objects. The method is then employed to simulate an A beta fibril model in the presence of bubbles, and the results show that the bubble expansion and contraction exert water pressure on the fibril. This yields to the deceleration and acceleration of the fibril kinetic energy, facilitating the conformational transition between local free energy minima, and leading to the dissociation of the fibril. Our work, which is a proof-of-concept, may open a new, efficient way to dissociate amyloid fibrils using the bubble cavitation technique, and new venues to investigate the complex phenomena associated with amyloidogenesis. Published by AIP Publishing.},
	issn = {0021-9606},
	doi = {10.1063/1.4966263},
	author = {Man Hoang Viet and Philippe Derreumaux and Phuong Hoang Nguyen}
}
@article {2016|1750,
	title = {Non-equivalent binding sites for Abeta1-40 on PrP determine the oligomerisation pathway},
	journal = {Prion},
	volume = {10},
	number = {1},
	year = {2016},
	pages = {S40},
	issn = {1933-6896},
	author = {Grznarova, Katarina and Torrent, Joan and Munoz-Montesino, Carola and Nasica, Jessica and Philippe Derreumaux and Beringue, Vincent and Deslys, Jean-Philippe and Rezaei, Human}
}
@article {2005|1952,
	title = {Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique},
	journal = {Phys. Biol.},
	volume = {2},
	number = {4, Sp. Iss. SI},
	year = {2005},
	month = {dec},
	pages = {S101-S107},
	doi = {10.1088/1478-3975/2/4/S04},
	author = {Mousseau, N and Philippe Derreumaux and Gilbert, G}
}
@article {1995|1869,
	title = {A NEW SPECTROSCOPIC MOLECULAR MECHANICS FORCE-FIELD - PARAMETERS FOR PROTEINS},
	journal = {J. Chem. Phys.},
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	number = {21},
	year = {1995},
	month = {jun},
	pages = {8586{\textendash}8605},
	doi = {10.1063/1.468848},
	author = {Philippe Derreumaux and VERGOTEN, G}
}
@article {1990|1929,
	title = {NORMAL-COORDINATE TREATMENT OF A NUCLEIC BASE PAIR MODEL IN ITS CRYSTALLINE STATE - 1-METHYLCYTOSINE-9-ETHYLGUANINE},
	journal = {J. Raman Spectrosc.},
	volume = {21},
	number = {4},
	year = {1990},
	month = {apr},
	pages = {215{\textendash}226},
	doi = {10.1002/jrs.1250210402},
	author = {LAGANT, P and VERGOTEN, G and Philippe Derreumaux and DHENNIN, R}
}
