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Development of a Force Field Topology Database for Detergents for Molecular Dynamics Simulations with the Amber Force Fields

✍ Scribed by Abel, Stéphane; Dupradeau, François-Yves; de Foresta, Beatrice; Marchi, Massimo

Book ID
122146390
Publisher
Biophysical Society
Year
2012
Tongue
English
Weight
112 KB
Volume
102
Category
Article
ISSN
0006-3495

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Development of polyphosphate parameters
Development of polyphosphate parameters for use with the AMBER force field
✍ Kristin L. Meagher; Luke T. Redman; Heather A. Carlson 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 502 KB

## Abstract Accurate force fields are essential for reproducing the conformational and dynamic behavior of condensed‐phase systems. The popular AMBER force field has parameters for monophosphates, but they do not extend well to polyphorylated molecules such as ADP and ATP. This work presents parame