𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein−Ligand Interactions

✍ Scribed by Maple, Jon R.; Cao, Yixiang; Damm, Wolfgang; Halgren, Thomas A.; Kaminski, George A.; Zhang, Linda Y.; Friesner, Richard A.


Book ID
120068068
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
122 KB
Volume
1
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Development of a polarizable force field
✍ George A. Kaminski; Harry A. Stern; B. J. Berne; Richard A. Friesner; Yixiang X. 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 186 KB 👁 1 views

## Abstract We present results of developing a methodology suitable for producing molecular mechanics force fields with explicit treatment of electrostatic polarization for proteins and other molecular system of biological interest. The technique allows simulation of realistic‐size systems. Employi

Strike a balance: Optimization of backbo
✍ Zhi-Xiang Wang; Wei Zhang; Chun Wu; Hongxing Lei; Piotr Cieplak; Yong Duan 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 641 KB

## Abstract Based on the AMBER polarizable model (ff02), we have reoptimized the parameters related to the main‐chain (Φ, Ψ) torsion angles by fitting to the Boltzmann‐weighted average quantum mechanical (QM) energies of the important regions (i.e., β, P~II~, α~R~, and α~L~ regions). Following the