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Molecular Dynamics simulations of track formation at different ensembles

Universidade Estadual de Campinas (UNICAMP); Universidade Estadual Paulista (Unesp) (2013-01-01)

A series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one ...

Molecular Dynamics simulations of track formation at different ensembles

Universidade Estadual de Campinas (UNICAMP); Universidade Estadual Paulista (Unesp) (2013-01-01)

Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study

Inostroza N.; Mardones D.; Cernicharo J.; Zinnecker H.; Ge J.; Aria N.; Fuentealba P.; Cardenas C. (EDP Sciences, 2019)

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

Parra J.G.; Domínguez H.; Aray Y.; Iza P.; Zarate X.; Schott E. (Elsevier B.V., 2019)

Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies

Valenzuela-Riffo F.; Ramos P.; Morales-Quintana L. (Elsevier Ltd, 2018)

Protein modeling, molecular network and molecular dynamics study of newly sequenced interleukin-18 (IL-18) gene in Mus musculus

Yadav B.S.; Chaturvedi N.; Yadav P.K.; Marina N.; Ganash M.; Barreto G.E.; Ashraf G.M.; Ahmad K.; Baig M.H. (Wiley-Liss Inc., 2019)

Structural and dynamical properties of the Cu46Zr54 alloy incrystalline, amorphous and liquid state: A molecular dynamic study

Valencia Balvín, Camilo; Loyola, Claudia; Osorio Guillén, Jorge; Gutiérrez Gallardo, Gonzalo (Elsevier B.V., 2010-09-30)

Molecular dynamics simulations for the crystal,amorphous and liquid Cu46Zr54 alloy werecarriedout on asystemwithupto2000particles,usingapairwisepotentialoftheRosato–Guillope–Legrandtype. All simulationsweredoneinthemic ...

Consistent Acetonitrile Molecular Models for both Standard and Computationally Efficient Molecular Dynamics Studies

Álvarez, Hugo Ariel; Llerena Suster, Carlos Rafael; McCarthy, Andrés Norman (2014)

Dinâmica molecular do receptor ativador da proliferação de peroxissomos gama : associação com ligantes e proteínas corregulatóriasMolecular dynamics of the peroxissome proliferator-activated receptor gamma : association with ligands and coregulatory proteins

Mottin, Melina, 1981- ([s.n.], 2015)

A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation

Turra, Kely Medeiros; Mesquita Pasqualoto, Kerly Fernanda; de Moraes Barros, Silvia Berlanga (WILEY-BLACKWELLHOBOKEN, 2013-08-02)

Matrix metalloproteinases (MMPs) constitute a family of zinc-dependent proteases involved in the extracellular matrix degradation. MMP-2 and MMP9 are overexpressed in several human cancer types, including melanoma, thus ...

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Molecular Dynamics simulations of track formation at different ensembles

Molecular Dynamics simulations of track formation at different ensembles

Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies

Protein modeling, molecular network and molecular dynamics study of newly sequenced interleukin-18 (IL-18) gene in Mus musculus

Structural and dynamical properties of the Cu46Zr54 alloy incrystalline, amorphous and liquid state: A molecular dynamic study

Consistent Acetonitrile Molecular Models for both Standard and Computationally Efficient Molecular Dynamics Studies

Dinâmica molecular do receptor ativador da proliferação de peroxissomos gama : associação com ligantes e proteínas corregulatóriasMolecular dynamics of the peroxissome proliferator-activated receptor gamma : association with ligands and coregulatory proteins

A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation