Paper Citing NAMD - Abstract
Arkhipov, Anton; Freddolino, Peter L.; Schulten, Klaus
Stability and dynamics of virus capsids described by coarse-grained modeling
STRUCTURE, 14:1767-1777, DEC 2006
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.
