Dynamic charge distribution of pyrazine: Hartree—Fock—Slater calculation and comparison with X-ray diffraction results

Structure-based analysis of protein dyna

Structure-based analysis of protein dynamics: Comparison of theoretical results for hen lysozyme with X-ray diffraction and NMR relaxation data

✍ Turkan Haliloglu; Ivet Bahar 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 367 KB 👁 1 views

## An analytical approach based on Gaussian network model (GNM) is proposed for predicting the rotational dynamics of proteins. The method, previously shown to successfully reproduce X-ray crystallographic temperature factors for a series of proteins is extended here to predict bond torsional mobi