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An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

✍ Scribed by Poursina, Mohammad; Anderson, Kurt S.

Book ID
124131016
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
639 KB
Volume
270
Category
Article
ISSN
0021-9991

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## Abstract Evaluation of long‐range Coulombic interactions still represents a bottleneck in the molecular dynamics (MD) simulations of biological macromolecules. Despite the advent of sophisticated fast algorithms, such as the fast multipole method (FMM), accurate simulations still demand a great