On the treatment of long-range electrostatic interactions in biomolecular simulations

DOI10.1007/978-3-540-46375-7_27MaRDI QIDQ2820568zbMATH OpenOpenAlexFDO

Authors Yoshiteru Yonetani

Publication date 9 September 2016

Published in Frontiers of Computational Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-540-46375-7_27

zbMATH Keywords

electrostatic interactionsKirkwood factor

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40)

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(6)

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• Application of New Multiresolution Methods for the Comparison of Biomolecular Electrostatic Properties in the Absence of Global Structural Similarity
• Between Algorithm and Model: Different Molecular Surface Definitions for the Poisson-Boltzmann Based Electrostatic Characterization of Biomolecules in Solution
• An adaptive multigrid technique for evaluating long-range forces in biomolecular simulations
• Many-body effects and electrostatics in biomolecules
• A new numerical method for nonlocal electrostatics in biomolecular simulations

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