Showing 145,581 - 145,600 results of 227,950 for search '(( 10 ((((we decrease) OR (a decrease))) OR (nn decrease)) ) OR ( 2 step decrease ))', query time: 2.35s Refine Results
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    Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations by Po-chia Chen (1262706)

    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. …”
  19. 145599

    Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations by Po-chia Chen (1262706)

    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. …”
  20. 145600