𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the Reliability of the AMBER Force Field and its Empirical Dispersion Contribution for the Description of Noncovalent Complexes

✍ Scribed by Michal Kolář; Karel Berka; Petr Jurečka; Pavel Hobza

Book ID
102811212
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
719 KB
Volume
11
Category
Article
ISSN
1439-4235

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Origin of intrinsic 310-helix versus str
Origin of intrinsic 310-helix versus strand stability in homopolypeptides and its implications for the accuracy of the Amber force field
✍ Anna Jagielska; Jeffrey Skolnick 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 208 KB

## Abstract Current all‐atom force fields often fail to recognize the native structure of a protein as the lowest free energy minimum. One possible cause could be the mathematical form of the potential based on the assumption that the conformation of a residue is independent of its neighbors. Here,

A molecular mechanics force field for rh
A molecular mechanics force field for rhodium(I) carbonyl phosphine complexes and its application on the oxidative addition reactions of these complexes
✍ Lamprecht, Delanie; Lamprecht, Gert J. 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 280 KB 👁 2 views

The main purpose of the development of an Rh(I) Carbonyl Phosphine force field was to predict the molecular structure of Rh(I) complexes as well as to compute possible intermediates or transition states during the oxidative addition of CH 3 I to these complexes.