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1by Bidouil, Christelle, Basilio de Oliveira, Eduardo, Chebil, Latifa, Maia, Elaine-Rose, Maigret, Bernard, Ronat-Heidt, Evelyne, Ghoul, Mohamed, Engasser, Jean-Marc, Humeau, CatherineGet access
Published in Journal of Biotechnology (2011)
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2by Branco, R. J. F., Graber, Marianne, Denis, Vinciane, Pleiss, Juergen“... (CALB) and its dependence on the thermodynamic activity of water aw was studied by molecular dynamics...”
Published in ChemBioChem (2009)
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3by Desdouits, Nathan, Nilges, Michael, Blondel, ArnaudSubjects: “...Molecular dynamics...”
Published in Journal of Molecular Graphics and Modelling (2014)
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4by Jin, Dongliang“...-substrate and liquid water-substrate interfaces are determined using molecular dynamics to quantitatively...”
Published 2018
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5by Gaal, Richard, Schaack, Sofiane, Ranieri, Umbertoluca, Depondt, Philippe, Gillet, Philippe, Kuhs, W. F., Finocchi, Fabio, Bove, Livia Eleonora“... high-pressure Raman spectroscopy data of CH 4-D 2 O hydrate up to 1.5 Mbar. By parallel molecular...”
Published 2019
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6“... of the silicalite-1 zeolite was studied by means of molecular dynamics simulations at temperatures of 150 and 250 K...”
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7by Schaack, Sofiane, Depondt, Philippe, Finocchi, Fabio“...International audience First-principle molecular dynamics simulations of methane hydrate MH-III...”
Published in Journal of Physics: Conference Series (2016)
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8by Schaack, S., Depondt, Ph., Moog, M., Pietrucci, F., Finocchi, Fabio“... metadynamics and Path Integral Molecular Dynamics for nuclear quantum effects, we analyze the phase transition...”
Published in The Journal of Chemical Physics (2020)
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9by Chaput, Ludovic“... pocket in the active site is presented, based on molecular dynamics simulations. La lipase B de Candida...”
Published 2012
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10by Domine, Florent, Cincinelli, Alessandra, Bonnaud, Elodie, Martellini, Tania, Picaud, Sylvain“.... The adsorption enthalpy is ΔHads = −89 ± 18 kJ mol-1. We also perform molecular dynamics calculations...”
Published in Environmental Science & Technology (2007)
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