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Author : Michael Holst
Publisher :
ISBN 13 :
Total Pages : 26 pages
Book Rating : 4.:/5 (31 download)
Download or read book Multigrid Solution of the Poisson-Boltzmann Equation written by Michael Holst and published by . This book was released on 1992 with total page 26 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ilia Antsiferov
Publisher :
ISBN 13 :
Total Pages : 126 pages
Book Rating : 4.:/5 (234 download)
Download or read book Solving the Nonlinear Poisson-Boltzmann Equation Using Multigrid Methods written by Ilia Antsiferov and published by . This book was released on 2006 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ilia Antsiferov
Publisher :
ISBN 13 :
Total Pages : 63 pages
Book Rating : 4.:/5 (951 download)
Download or read book Solving the Poisson-Boltzmann Equation Using Nonlinear Multigrid Methods written by Ilia Antsiferov and published by . This book was released on 2006 with total page 63 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Benjamin Quanah Parker
Publisher :
ISBN 13 :
Total Pages : 104 pages
Book Rating : 4.:/5 (894 download)
Download or read book Multigrid Solution of the Debye-Hückel Equation written by Benjamin Quanah Parker and published by . This book was released on 2013 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Multigrid algorithms are fast solvers for elliptic partial differential equations. In this thesis, we apply multigrid methods to the model of protein charge-regulation of Hollenbeck, et al. The model of protein charge-regulation requires computing work of charging matrices for two low dielectric spheres in a salt solution, which in turn requires many solutions of the linearized Poisson-Boltzmann equation, or the Debye-Hückel equation. We use multigrid methods to reduce the run time of computing solutions to the Debye-Hückel equation, and compare the results of some simple and more complicated examples. Using the work of Brandt and others, we also construct an interpolation scheme that takes the potentially complicated behavior of the coefficient into account."--Abstract.
Author : Michael Jay Holst
Publisher :
ISBN 13 :
Total Pages : 564 pages
Book Rating : 4.:/5 (31 download)
Download or read book Multilevel Methods for the Poisson-Boltzmann Equation written by Michael Jay Holst and published by . This book was released on 1993 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multilevel convergence theory is discussed, and we adapt and apply some recent results to the Galerkin-based methods. Numerical results arepresented for several test problems, including a nonlinear PBE calculation of the electrostatic potential of Superoxide Dismutase, an enzymewhich has recently been linked to Lou Gehrig's disease. We present a collection of performance statistics and benchmarks for the linear andnonlinear methods on a number of sequential and parallel computers, and discuss the software developed in the course of the research."
Author :
Publisher :
ISBN 13 :
Total Pages : 438 pages
Book Rating : 4.:/5 (317 download)
Download or read book Seventh Copper Mountain Conference on Multigrid Methods written by and published by . This book was released on 1996 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0471466646
Total Pages : 419 pages
Book Rating : 4.4/5 (714 download)
Download or read book Reviews in Computational Chemistry, Volume 19 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-10-21 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Auch Band 19 dieser seit Jahren bewährten und erfolgreichen Reihe führt Neueinsteiger in moderne Forschungsgebiete der Computerchemie ein und hilft Fachleuten, auf dem Laufenden zu bleiben. - international renommierte Fachleute diskutieren Themen aus den Bereichen Molecular modeling, Quantenchemie, computergestütztes Moleküldesign (CAMD), Molekülmechanik und -dynamik sowie QSAR (Quantitative Struktur-Reaktivitäts-Beziehungen) - ausführliche Autoren- und Sachregister erleichtern die Orientierung - Beiträge sind allgemein verständlich geschrieben und enthalten nur das notwendige Minimum an mathematischen Formalismen; dadurch ist die Reihe auch geeignet für Leser, die sich nicht hauptsächlich mit den genannten Fachgebieten beschäftigen
Author :
Publisher :
ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (727 download)
Download or read book Numerical Methods for Molecular Dynamics. Progress Report written by and published by . This book was released on 1991 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three-dimensional problems arising in physics and engineering. In many applications these problems must be solved repeatedly, and the extremely large number of discrete unknowns required to accurately approximate solutions to partial differential equations in three-dimensional regions necessitates the use of efficient solution methods. This situation makes clear the importance of developing methods which are of optimal order (or nearly so), meaning that the number of operations required to solve the discrete problem is on the order of the number of discrete unknowns. Multigrid methods are generally regarded as being in this class of methods, and are in fact provably optimal order for an increasingly large class of problems. The fundamental goal of this research is to develop a fast and accurate numerical technique, based on multi-level principles, for the solutions of the Poisson-Boltzmann equation of molecular biophysics and similar equations occurring in other applications. An outline of the report is as follows. We first present some background material, followed by a survey of the literature on the use of multigrid methods for solving problems similar to the Poisson-Boltzmann equation. A short description of the software we have developed so far is then given, and numerical results are discussed. Finally, our research plans for the coming year are presented.
Author : Marian Bubak
Publisher : Springer
ISBN 13 : 354069384X
Total Pages : 1070 pages
Book Rating : 4.5/5 (46 download)
Download or read book Computational Science – ICCS 2008 written by Marian Bubak and published by Springer. This book was released on 2008-06-25 with total page 1070 pages. Available in PDF, EPUB and Kindle. Book excerpt: The three-volume set LNCS 5101-5103 constitutes the refereed proceedings of the 8th International Conference on Computational Science, ICCS 2008, held in Krakow, Poland in June 2008. The 167 revised papers of the main conference track presented together with the abstracts of 7 keynote talks and the 100 revised papers from 14 workshops were carefully reviewed and selected for inclusion in the three volumes. The main conference track was divided into approximately 20 parallel sessions addressing topics such as e-science applications and systems, scheduling and load balancing, software services and tools, new hardware and its applications, computer networks, simulation of complex systems, image processing and visualization, optimization techniques, numerical linear algebra, and numerical algorithms. The second volume contains workshop papers related to various computational research areas, e.g.: computer graphics and geometric modeling, simulation of multiphysics multiscale systems, computational chemistry and its applications, computational finance and business intelligence, physical, biological and social networks, geocomputation, and teaching computational science. The third volume is mostly related to computer science topics such as bioinformatics' challenges to computer science, tools for program development and analysis in computational science, software engineering for large-scale computing, collaborative and cooperative environments, applications of workflows in computational science, as well as intelligent agents and evolvable systems.
Author : V. Sundararajan
Publisher : Academic Press
ISBN 13 : 0080879705
Total Pages : 493 pages
Book Rating : 4.0/5 (88 download)
Download or read book Computational Modeling of Membrane Bilayers written by V. Sundararajan and published by Academic Press. This book was released on 2011-08-29 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. *Discusses the current stat of electrostatics in biomolecular simulations and future directions *Includes information on time and length scales in lipid bilayer simulations *Includes a chapter on the nature of lipid rafts
Author :
Publisher :
ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (727 download)
Download or read book Numerical Methods for Molecular Dynamics written by and published by . This book was released on 1991 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three-dimensional problems arising in physics and engineering. In many applications these problems must be solved repeatedly, and the extremely large number of discrete unknowns required to accurately approximate solutions to partial differential equations in three-dimensional regions necessitates the use of efficient solution methods. This situation makes clear the importance of developing methods which are of optimal order (or nearly so), meaning that the number of operations required to solve the discrete problem is on the order of the number of discrete unknowns. Multigrid methods are generally regarded as being in this class of methods, and are in fact provably optimal order for an increasingly large class of problems. The fundamental goal of this research is to develop a fast and accurate numerical technique, based on multi-level principles, for the solutions of the Poisson-Boltzmann equation of molecular biophysics and similar equations occurring in other applications. An outline of the report is as follows. We first present some background material, followed by a survey of the literature on the use of multigrid methods for solving problems similar to the Poisson-Boltzmann equation. A short description of the software we have developed so far is then given, and numerical results are discussed. Finally, our research plans for the coming year are presented.
Author : David E. Keyes
Publisher : American Mathematical Soc.
ISBN 13 : 0821851713
Total Pages : 578 pages
Book Rating : 4.8/5 (218 download)
Download or read book Domain Decomposition Methods in Scientific and Engineering Computing written by David E. Keyes and published by American Mathematical Soc.. This book was released on 1994 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains proceedings from the Seventh International Conference on Domain Decomposition Methods, held at Pennsylvania State University in October 1993. The term ``domain decomposition'' has for nearly a decade been associated with the partly iterative, partly direct algorithms explored in the proceedings of this conference. Noteworthy trends in the current volume include progress in dealing with so-called ``bad parameters'' in elliptic partial differential equation problems, as well as developments in partial differential equations outside of the elliptically-dominated framework. Also described here are convergence and complexity results for novel discretizations, which bring with them new challenges in the derivation of appropriate operators for coarsened spaces. Implementations and architectural considerations are discussed, as well as partitioning tools and environments. In addition, the book describes a wide array of applications, from semiconductor device simulation to structural mechanics to aerodynamics. Presenting many of the latest results in the field, this book offers readers an up-to-date guide to the many facets of the theory and practice of domain decomposition.
Author : Allan Svendsen
Publisher : CRC Press
ISBN 13 : 0824756916
Total Pages : 638 pages
Book Rating : 4.8/5 (247 download)
Download or read book Enzyme Functionality written by Allan Svendsen and published by CRC Press. This book was released on 2003-10-28 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: Enzyme Functionality serves as a conduit for trailblazing research in enzyme engineering-relating current understanding of sequence families, the new notion of enzyme structure classes, and modern methods in protein engineering, design, and directed evolution to accelerate the development of novel enzyme functionalities. This reference gathers the diverse perspectives of nearly 80 scientists from around the globe and surveys all leading rational and random approaches to the artificial evolution of enzymes. Citing more than 1500 notable works, it outlines assays for enzyme activity, stability, and specificity and a wide variety of site-directed, redesign, and evolutionary engineering methods.
Author : Yongjie (Jessica) Zhang
Publisher : Springer Science & Business Media
ISBN 13 : 940074255X
Total Pages : 302 pages
Book Rating : 4.4/5 (7 download)
Download or read book Image-Based Geometric Modeling and Mesh Generation written by Yongjie (Jessica) Zhang and published by Springer Science & Business Media. This book was released on 2012-07-03 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a new interdisciplinary research area, “image-based geometric modeling and mesh generation” integrates image processing, geometric modeling and mesh generation with finite element method (FEM) to solve problems in computational biomedicine, materials sciences and engineering. It is well known that FEM is currently well-developed and efficient, but mesh generation for complex geometries (e.g., the human body) still takes about 80% of the total analysis time and is the major obstacle to reduce the total computation time. It is mainly because none of the traditional approaches is sufficient to effectively construct finite element meshes for arbitrarily complicated domains, and generally a great deal of manual interaction is involved in mesh generation. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126108
Total Pages : 502 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry, Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.
Author : Tamar Schlick
Publisher : Springer Science & Business Media
ISBN 13 : 3642560806
Total Pages : 504 pages
Book Rating : 4.6/5 (425 download)
Download or read book Computational Methods for Macromolecules: Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.
Author : John J. Correia
Publisher : Academic Press
ISBN 13 : 0080554946
Total Pages : 996 pages
Book Rating : 4.0/5 (85 download)
Download or read book Biophysical Tools for Biologists written by John J. Correia and published by Academic Press. This book was released on 2011-09-21 with total page 996 pages. Available in PDF, EPUB and Kindle. Book excerpt: Driven in part by the development of genomics, proteomics, and bioinformatics as new disciplines, there has been a tremendous resurgence of interest in physical methods to investigate macromolecular structure and function in the context of living cells. This volume in Methods in Cell Biology is devoted to biophysical techniques in vitro and their applications to cellular biology. Biophysical Tools for Biologists covers methods-oriented chapters on fundamental as well as cutting-edge techniques in molecular and cellular biophysics. This book is directed toward the broad audience of cell biologists, biophysicists, pharmacologists, and molecular biologists who employ classical and modern biophysical technologies or wish to expand their expertise to include such approaches. It will also interest the biomedical and biotechnology communities for biophysical characterization of drug formulations prior to FDA approval. Describes techniques in the context of important biological problems Delineates critical steps and potential pitfalls for each method Includes full-color plates to illustrate techniques
