Author: Susmita Roy
Title: Dynamical asymmetry exposes 2019-nCoV prefusion spike Document date: 2020_4_22
ID: 29n9tsk9_34
Snippet: To begin every simulation an initial structure is energetically minimized under the structure-based Hamiltonian using the steepest descent algorithm. Atomic coordinates of the energy minimized structure have been evolved using Langevin dynamics with a time step of 0.0005 R ï´ . We used an underdamped condition for rapid sampling (40) . For explicit particles, reduced mass of 1 R ï and a drag coefficient.....
Document: To begin every simulation an initial structure is energetically minimized under the structure-based Hamiltonian using the steepest descent algorithm. Atomic coordinates of the energy minimized structure have been evolved using Langevin dynamics with a time step of 0.0005 R ï´ . We used an underdamped condition for rapid sampling (40) . For explicit particles, reduced mass of 1 R ï and a drag coefficient
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