Simulation Software Selection "Whys and Hows"
Jalal Nikoukaran, Ray J. Paul (1998)
The Yugoslav Journal of Operations Research
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Jalal Nikoukaran, Ray J. Paul (1998)
The Yugoslav Journal of Operations Research
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Ellis L. Johnson, George L. Nemhauser (1992)
The Yugoslav Journal of Operations Research
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Serafim Opricović, Lorenzo Eccher, Miodrag Isailovski (1992)
The Yugoslav Journal of Operations Research
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Miloš Baošić, Branislav Đorđević (1992)
The Yugoslav Journal of Operations Research
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Č. Duboka, Ž. Aresnijević, J. Todorović (1996)
The Yugoslav Journal of Operations Research
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Amelia B. Kreienkamp, Lucy Y. Liu, Mona S. Minkara, Matthew G. Knepley, Jaydeep P. Bardhan, Mala L. Radhakrishnan (2013)
Molecular Based Mathematical Biology
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We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins¶a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue...
A. Shamloo, A.P. Sowa (2013)
Nanoscale Systems: Mathematical Modeling, Theory and Applications
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We consider the electronic properties of a system consisting of two quantum dots in physical proximity, which we will refer to as the double-Qdot. Double-Qdots are attractive in light of their potential application to spin-based quantum computing and other electronic applications, e.g. as specialized sensors. Our main goal is to derive the essential properties of the double-Qdot from a model that is rigorous yet numerically tractable, and largely circumvents the complexities of an ab...
Wei—Tzen Yang, Li-Chuan Chu (1999)
The Yugoslav Journal of Operations Research
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Tao Liao, Yongjie Zhang, Peter M. Kekenes-Huskey, Yuhui Cheng, Anushka Michailova, Andrew D. McCulloch, Michael Holst, J. Andrew McCammon (2013)
Molecular Based Mathematical Biology
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Multi-scale modeling plays an important role in understanding the structure and biological functionalities of large biomolecular complexes. In this paper, we present an efficient computational framework to construct multi-scale models from atomic resolution data in the Protein Data Bank (PDB), which is accelerated by multi-core CPU and programmable Graphics Processing Units (GPU). A multi-level summation of Gaussian kernel functions is employed to generate implicit models for biomolecules....
Robert C. Harris, Travis Mackoy, Marcia O. Fenley (2013)
Molecular Based Mathematical Biology
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A stochastic generalized Born (GB) solver is presented which can give predictions of energies arbitrarily close to those that would be given by exact effective GB radii, and, unlike analytical GB solvers, these errors are Gaussian with estimates that can be easily obtained from the algorithm. This method was tested by computing the electrostatic solvation energies (ΔGsolv) and the electrostatic binding energies (ΔGbind) of a set of DNA-drug complexes, a set of protein-drug complexes,...
Hannu Nurmi (1982)
Stochastica
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This paper deals with two ways in which uncertainty notions enter social science models: 1) They can be used in an effort to make intelligible some phenomena that would otherwise be difficult to comprehend, or 2) They can be use to generalize or modify the domain of validity of some theoretical results.
Andreas Speck, Sven Feja, Sören Witt, Elke Pulvermüller, Marcel Schulz (2011)
Computer Science and Information Systems
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C. Y. Fong, M. Shaughnessy, L. Damewood, L. H. Yang (2012)
Nanoscale Systems: Mathematical Modeling, Theory and Applications
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Since the term “spintronics” was conceived in 1996, there have been several directions taken to develop new semiconductor-based magnetic materials for device applications using spin, or spin and charge, as the operational paradigm. Anticipating their integration into mature semiconductor technologies, one direction is to make use of materials involving Si. In this review, we focus on the progress made, since 2005, in Si-based half metallic spintronic materials. In addition to commenting...
Jovan Petrić (1992)
The Yugoslav Journal of Operations Research
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S.A. Lurie, P.A. Belov (2013)
Nanoscale Systems: Mathematical Modeling, Theory and Applications
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In this article a model of irreversible dynamic thermoelasticity of an ideal continuua is constructed from an elasticity theory of asymmetrical, transversely isotropic in time direction, dissipative defectless 4D-continuum. In the model the fourth component of the 4D-displacement vector is locally irregular time R. The kinematic model comprises 3D-tensor of distortion, 3Dvector of velocity, 3D-gradient vector of local irregular time and entropy in unified tensor object which is an asymmetrical...
Yan Xie, Jie Cheng, Benzhuo Lu, Linbo Zhang (2013)
Molecular Based Mathematical Biology
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rithms for solving the 3D electro-diffusion equations such as the Poisson-Nernst-Planck equations and the size-modified Poisson-Nernst-Planck equations in simulations of biomolecular systems in ionic liquid. A set of transformation methods based on the generalized Slotboom variables is used to solve the coupled equations. Calculations of the diffusion-reaction rate coefficients, electrostatic potential and ion concentrations for various systems verify the method’s validity and stability....