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Virtual Molecular Dynamics

Virtual Molecular Dynamics

Computational biophysicists use a new open source computational tool called fABMACS for molecular dynamics simulations to see beyond static images of proteins to more efficiently understand how these molecules function which could ultimately speed up the drug discovery process.

Computational biophysicists use a new open source computational tool called fABMACS for molecular dynamics simulations to see beyond static images of proteins to more efficiently understand how these molecules function which could ultimately speed up the drug discovery process.

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Molecular Dynamics of Viruses

Molecular Dynamics of Viruses

Molecular dynamics simulation of (a) pristine nanodiamond, (b) nanodiamond annealed at  1400 °C, (c) nanodiamond annealed at 2000 °C, 8  and carbon onions synthesized via (d) annealing of  nanodiamond at 2000 °C, 18  (e) arc discharge between two carbon electrodes in water, 9  and (f) electron  beam irradiation

Molecular dynamics simulation of (a) pristine nanodiamond, (b) nanodiamond annealed at 1400 °C, (c) nanodiamond annealed at 2000 °C, 8 and carbon onions synthesized via (d) annealing of nanodiamond at 2000 °C, 18 (e) arc discharge between two carbon electrodes in water, 9 and (f) electron beam irradiation

Molecular dynamics of a biophysical model for b2-adrenergic and G protein-coupled receptor activation§

Molecular dynamics of a biophysical model for b2-adrenergic and G protein-coupled receptor activation§

Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics

Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics

Computational Chemistry Highlights: Enhancing NMR Prediction for Organic Compounds Using Molecular Dynamics

Computational Chemistry Highlights: Enhancing NMR Prediction for Organic Compounds Using Molecular Dynamics

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Molecular dynamics of a biophysical model for β2-adrenergic and G protein-coupled receptor activation

Molecular dynamics of a biophysical model for β2-adrenergic and G protein-coupled receptor activation

Molecular dynamics simulations of large macromolecular complexes

Molecular dynamics simulations of large macromolecular complexes