[HTML][HTML] Stability and dynamics of virus capsids described by coarse-grained modeling

A Arkhipov, PL Freddolino, K Schulten - Structure, 2006 - cell.com
Structure, 2006cell.com
We report a study of the structural dynamics of viral capsids, simulated on a microsecond
timescale, by employing a coarse-graining molecular dynamics method. The 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.
Summary
We report a study of the structural dynamics of viral capsids, simulated on a microsecond timescale, by employing a coarse-graining molecular dynamics method. The 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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