Search alternatives:
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search)
we decrease » _ decrease (Expand Search), mean decrease (Expand Search), teer decrease (Expand Search)
nn decrease » _ decrease (Expand Search), mean decrease (Expand Search), gy decreased (Expand Search)
a decrease » _ decrease (Expand Search), _ decreased (Expand Search), _ decreases (Expand Search)
2 step » _ step (Expand Search), a step (Expand Search)
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search)
we decrease » _ decrease (Expand Search), mean decrease (Expand Search), teer decrease (Expand Search)
nn decrease » _ decrease (Expand Search), mean decrease (Expand Search), gy decreased (Expand Search)
a decrease » _ decrease (Expand Search), _ decreased (Expand Search), _ decreases (Expand Search)
2 step » _ step (Expand Search), a step (Expand Search)
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Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations
Published 2017“…While <i>ab initio D</i><sub>rot</sub> prediction can be achieved by explicit all-atom molecular dynamics simulations, this is hindered by both computational expense and limitations in water models. We propose coarse-grained force fields as a complementary solution, and show that the MARTINI force field with elastic networks is sufficient to compute <i>D</i><sub>rot</sub> in >10 proteins spanning 5–157 kDa. …”
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145599
Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations
Published 2017“…While <i>ab initio D</i><sub>rot</sub> prediction can be achieved by explicit all-atom molecular dynamics simulations, this is hindered by both computational expense and limitations in water models. We propose coarse-grained force fields as a complementary solution, and show that the MARTINI force field with elastic networks is sufficient to compute <i>D</i><sub>rot</sub> in >10 proteins spanning 5–157 kDa. …”
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145600