Evaluating the Performance of the ff99SB Force Field Based on NMR Scalar Coupling Data

Assessment of the molecular dynamics str

Assessment of the molecular dynamics structure of DNA in solution based on calculated and observed NMR NOESY volumes and dihedral angles from scalar coupling constants

✍ Haribabu Arthanari; Kevin J. McConnell; Richard Beger; Matthew A. Young; D. L. B 📂 Article 📅 2002 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 822 KB

## Abstract To assess the accuracy of the molecular dynamics (MD) models of nucleic acids, a detailed comparison between MD‐calculated and NMR‐observed indices of the dynamical structure of DNA in solution has been carried out. The specific focus of our comparison is the oligonucleotide duplex, d(C