TCB Publications - Abstract

Anton Arkhipov, Peter L. Freddolino, and Klaus Schulten. Stability and dynamics of virus capsids described by coarse-grained modeling. Structure, 14:1767-1777, 2006.

ARKH2006 We report a study of the structural dynamics of viral capsids, simulated on a microsecond time scale by employing a novel coarse-graining molecular dynamics method. The new method was calibrated against an all-atom simulation of one complete virus. Among the studied capsids, some collapsed rapidly while others were found to be stable. Interlocking between coat proteins is found to be a key factor determining the stability of the capsids.

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