Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers

Adaptive coarse graining of highly complex biomolecular systems is conducted by either imposing constraints on the system model to generate a coarser model, or releasing certain constraints from it to create a higher fidelity one. This paper addresses some of the challenges of transitions to finer-s...

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Bibliographic Details
Published in:	Multibody system dynamics Vol. 42; no. 1; pp. 97 - 117
Main Authors:	Poursina, Mohammad, Anderson, Kurt S.
Format:	Journal Article
Language:	English
Published:	Dordrecht Springer Netherlands 01.01.2018 Springer Nature B.V
Subjects:	Adaptive systems Automotive Engineering Biopolymers Computer simulation Computing time Constraint modelling Control Dynamical Systems Electrical Engineering Engineering Granulation Jacobi matrix method Kinetic energy Mechanical Engineering Mechanical systems Optimization Parallel processing Partitioning Scale models Vibration Molecular dynamics Adaptive coarse graining Model transition Optimization Divide-and-conquer algorithm
ISSN:	1384-5640, 1573-272X
Online Access:	Get full text
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