Applications of Molecular Dynamics Method for Simulations in Macroscale

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Transcript of Applications of Molecular Dynamics Method for Simulations in Macroscale

Page 1: Applications of Molecular Dynamics Method for Simulations in Macroscale
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Molecular Dynamics Simulations Reveal Specific Interactions of Post-translational Palmitoyl Modifications with Rhodopsin in Membranes

Molecular Dynamics Simulations Reveal Specific Interactions of Post-translational Palmitoyl Modifications with Rhodopsin in Membranes

Molecular docking simulations on a combined desktop and service grid infrastructure

Molecular docking simulations on a combined desktop and service grid infrastructure

A heterogeneous space–time full approximation storage multilevel method for molecular dynamics simulations

A heterogeneous space–time full approximation storage multilevel method for molecular dynamics simulations

Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding

Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding

Silicon diffusion in competitive TiSi 2 phases by molecular dynamics simulations

Silicon diffusion in competitive TiSi 2 phases by molecular dynamics simulations

Coarse-Grained Molecular Dynamics Simulations of the Entire Influenza Virus Envelope

Coarse-Grained Molecular Dynamics Simulations of the Entire Influenza Virus Envelope

Use of massively parallel molecular dynamics simulations for radiation damage in pyrochlores

Use of massively parallel molecular dynamics simulations for radiation damage in pyrochlores

The structure of water at platinum/water interfaces Molecular dynamics computer simulations

The structure of water at platinum/water interfaces Molecular dynamics computer simulations

Tetrahydroisoquinolines acting as dopaminergic ligands. A molecular modeling study using MD simulations and QM calculations

Tetrahydroisoquinolines acting as dopaminergic ligands. A molecular modeling study using MD simulations and QM calculations

Segmental Dynamics of Atactic Polypropylene As Revealed by Molecular Simulations and Quasielastic Neutron Scattering

Segmental Dynamics of Atactic Polypropylene As Revealed by Molecular Simulations and Quasielastic Neutron Scattering

MOLECULAR-DYNAMICS SIMULATIONS OF PROTEINS IN LIPID-MEMBRANES-THE 1ST STEPS

MOLECULAR-DYNAMICS SIMULATIONS OF PROTEINS IN LIPID-MEMBRANES-THE 1ST STEPS

Cooperative behavior of poly(vinyl alcohol) and water as revealed by molecular dynamics simulations

Cooperative behavior of poly(vinyl alcohol) and water as revealed by molecular dynamics simulations

Photodissociation of HCl adsorbed on the surface of an Ar12 cluster: Nonadiabatic molecular dynamics simulations

Photodissociation of HCl adsorbed on the surface of an Ar12 cluster: Nonadiabatic molecular dynamics simulations

Multifrequency Electron Spin Resonance Spectra of a Spin-Labeled Protein Calculated from Molecular Dynamics Simulations

Multifrequency Electron Spin Resonance Spectra of a Spin-Labeled Protein Calculated from Molecular Dynamics Simulations

Copper−1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations

Copper−1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations

MacroScale Simulations Using Molecular Dynamics Method

MacroScale Simulations Using Molecular Dynamics Method

Molecular Dynamics Simulations of the fracture toughness of Sapphire

Molecular Dynamics Simulations of the fracture toughness of Sapphire

Molecular dynamics — simulations of the fracture toughness of sapphire

Molecular dynamics — simulations of the fracture toughness of sapphire

Molecular dynamics simulations of shock-induced plasticity in tantalum

Molecular dynamics simulations of shock-induced plasticity in tantalum

Interfacial properties of the Mie n−6 fluid: Molecular simulations and gradient theory results

Interfacial properties of the Mie n−6 fluid: Molecular simulations and gradient theory results