2007/04/12 by Ilia A. Solov’yov, Ilia A. Solov'yov, Alexander V. Yakubovich +3 · 1 citation
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Chemistry #Computer science #DNA and Nucleic Acid Chemistry #Enzyme Structure and Function #Fast multipole method #Geology #Geometry #Linear scale #Macromolecule #Mathematics #Multipole expansion #Physics #Protein Structure and Dynamics #Quantum mechanics #Scaling #Scaling law #Statistical physics #physics.bio-ph #physics.comp-ph
paper · pdf · doi:10.1103/physreve.75.051912
23 pages, 7 figures, 1 table
arxiv created 2007/04/12 · openalex publication_date 2007/05/17 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We propose a theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an alternative to the well-known fast multipole method. Its efficiency, accuracy, and applicability to macromolecular systems is analyzed and discussed in detail.