✦ LIBER ✦

Ab initio calculations on peptide-derived oxazoles and thiazoles: Improved molecular mechanics parameters for the AMBER* force field

✍ Scribed by Christopher D.J. Boden; Gerald Pattenden

Book ID: 110257839
Publisher: Springer Netherlands
Year: 1999
Tongue: English
Weight: 161 KB
Volume: 13
Category: Article
ISSN: 0920-654X
DOI: 10.1023/a:1008044108821

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The Gradient Curves Method: An Improved

The Gradient Curves Method: An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from ab Initio Data

✍ Verstraelen, T.; Van Neck, D.; Ayers, P. W.; Van Speybroeck, V.; Waroquier, M. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 339 KB

Ab initio and molecular mechanics calcul

Ab initio and molecular mechanics calculations on imine derivatives: A study of the rotational barriers and the development of MM2 parameters

✍ Maria Kontoyianni; Andrew J. Hoffman; J. Phillip Bowen 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 676 KB

The application of molecular mechanics methods for the study of structures has become a standard approach to conformational analysis. The MM2 force field has been extended to include imines. In general, a diverse group of aliphatic and aromatic imine structures can now be treated. The rotational ene