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ChemInform Abstract: A Fast Molecular Simulation to Calculate Lipophilicity

✍ Scribed by Charles H. Reynolds; Scott A. Best

Publisher
John Wiley and Sons
Year
2010
Weight
23 KB
Volume
30
Category
Article
ISSN
0931-7597

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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