Comment on a “Fluctuation and Cross Correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations”

Model-free methods of analyzing domain m

Model-free methods of analyzing domain motions in proteins from simulation: A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

✍ Steven Hayward; Akio Kitao; Herman J.C. Berendsen 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 185 KB 👁 3 views

Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations. For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by m