A fast solver for nonlocal electrostatic theory in biomolecular science and engineering

Biological molecules perform their functions surrounded by water and mobile ions, which strongly influence molecular structure and behavior. The electrostatic interactions between a molecule and solvent are particularly difficult to model theoretically, due to the forces' long range and the col...

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Bibliographic Details
Published in:2011 48th ACM/EDAC/IEEE Design Automation Conference (DAC) pp. 801 - 805
Main Authors: Bardhan, Jaydeep P., Hildebrandt, Andreas
Format: Conference Proceeding
Language:English
Published: New York, NY, USA ACM 05.06.2011
IEEE
Series:ACM Conferences
Subjects:
Applied computing > Physical sciences and engineering > Chemistry
Biological system modeling
Computational modeling
Computing methodologies > Modeling and simulation > Model development and analysis > Modeling methodologies
Electric potential
Electrostatics
Equations
I.6.5 [Model Development]: Methodologies
J.2 [Physical Sciences and Engineering]: Chemistry
Mathematical model
Solvents
ISBN:1450306365, 9781450306362
ISSN:0738-100X
Online Access:Get full text
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