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Recent advances in the development and application of implicit solvent models in biomolecule simulations

โœ Scribed by Michael Feig; Charles L Brooks III

Book ID
113882870
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
172 KB
Volume
14
Category
Article
ISSN
0959-440X

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๐Ÿ“œ SIMILAR VOLUMES

Comparison of various implicit solvent m
Comparison of various implicit solvent models in molecular dynamics simulations of immunoglobulin G light chain dimer
โœ Marcin Krรณl ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 283 KB

## Abstract The present study tests performance of different solvation models applied to molecular dynamics simulation of a large, dimeric protein molecule. Analytical Continuum Electrostatics (ACE) with two different parameter sets, older V98 and new V01, and Effective Energy Function (EEF) are em