A Parallel Build Up Algorithm For Global Energy Minimizations Of Molecular Clusters Using Effective Energy Simulated Annealing
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A Parallel Build Up Algorithm For Global Energy Minimizations Of Molecular Clusters Using Effective Energy Simulated Annealing
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Author : Thomas Frederick Coleman
language : en
Publisher:
Release Date : 1993
A Parallel Build Up Algorithm For Global Energy Minimizations Of Molecular Clusters Using Effective Energy Simulated Annealing written by Thomas Frederick Coleman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Conformational analysis categories.
Global Minimization Of Nonconvex Energy Functions Molecular Conformation And Protein Folding
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Author : Panos M. Pardalos
language : en
Publisher: American Mathematical Soc.
Release Date : 1996
Global Minimization Of Nonconvex Energy Functions Molecular Conformation And Protein Folding written by Panos M. Pardalos and has been published by American Mathematical Soc. this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Mathematics categories.
This work contains refereed papers presented at an interdisciplinary scientific meeting attended by a mix of leading biochemists and computer scientists held at DIMACS in March 1995. It describes the development of a variety of new methods which are being developed for attacking the important problem of molecular structure. It is intended for graduate students and researchers in numerical analysis, molecular biology, biochemistry, computer science, engineering, and operations.
Algorithms For Continuous Optimization
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Author : E. Spedicato
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Algorithms For Continuous Optimization written by E. Spedicato and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
The NATO Advanced Study Institute on "Algorithms for continuous optimiza tion: the state of the art" was held September 5-18, 1993, at II Ciocco, Barga, Italy. It was attended by 75 students (among them many well known specialists in optimiza tion) from the following countries: Belgium, Brasil, Canada, China, Czech Republic, France, Germany, Greece, Hungary, Italy, Poland, Portugal, Rumania, Spain, Turkey, UK, USA, Venezuela. The lectures were given by 17 well known specialists in the field, from Brasil, China, Germany, Italy, Portugal, Russia, Sweden, UK, USA. Solving continuous optimization problems is a fundamental task in computational mathematics for applications in areas of engineering, economics, chemistry, biology and so on. Most real problems are nonlinear and can be of quite large size. Devel oping efficient algorithms for continuous optimization has been an important field of research in the last 30 years, with much additional impetus provided in the last decade by the availability of very fast and parallel computers. Techniques, like the simplex method, that were already considered fully developed thirty years ago have been thoroughly revised and enormously improved. The aim of this ASI was to present the state of the art in this field. While not all important aspects could be covered in the fifty hours of lectures (for instance multiob jective optimization had to be skipped), we believe that most important topics were presented, many of them by scientists who greatly contributed to their development.
Handbook Of Global Optimization
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Author : Panos M. Pardalos
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18
Handbook Of Global Optimization written by Panos M. Pardalos and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Mathematics categories.
In 1995 the Handbook of Global Optimization (first volume), edited by R. Horst, and P.M. Pardalos, was published. This second volume of the Handbook of Global Optimization is comprised of chapters dealing with modern approaches to global optimization, including different types of heuristics. Topics covered in the handbook include various metaheuristics, such as simulated annealing, genetic algorithms, neural networks, taboo search, shake-and-bake methods, and deformation methods. In addition, the book contains chapters on new exact stochastic and deterministic approaches to continuous and mixed-integer global optimization, such as stochastic adaptive search, two-phase methods, branch-and-bound methods with new relaxation and branching strategies, algorithms based on local optimization, and dynamical search. Finally, the book contains chapters on experimental analysis of algorithms and software, test problems, and applications.
Optimization In Computational Chemistry And Molecular Biology
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Author : Christodoulos A. Floudas
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Optimization In Computational Chemistry And Molecular Biology written by Christodoulos A. Floudas and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Computers categories.
Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations. Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking. Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.
A New Parallel Algorithm For Global Optimization With Application To The Molecular Cluster Problem
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Author : Aiping Liao
language : en
Publisher:
Release Date : 1994
A New Parallel Algorithm For Global Optimization With Application To The Molecular Cluster Problem written by Aiping Liao and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Mathematical optimization categories.
Molecular Structures And Structural Dynamics Of Prion Proteins And Prions
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Author : Jiapu Zhang
language : en
Publisher: Springer
Release Date : 2015-09-14
Molecular Structures And Structural Dynamics Of Prion Proteins And Prions written by Jiapu Zhang and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-09-14 with Science categories.
This monograph is the first easy-to-read-and-understand book on prion proteins' molecular dynamics (MD) simulations and on prions' molecular modelling (MM) constructions. It enables researchers to see what is crucial to the conformational change from normal cellular prion protein (PrPC) to diseased infectious prions (PrPSc), using MD and MM techniques. As we all know, prion diseases, caused by the body's own proteins, are invariably fatal and highly infectious neurodegenerative diseases effecting humans and almost all animals for a major public health concern. Prion contains no nucleic acids and it is a misshapen or conformation-changed protein that acts like an infectious agent; thus prion diseases are called “protein structural conformational” diseases. PrPC is predominant in α-helices but PrPSc are rich in β-sheets in the form as amyloid fibrils; so very amenable to be studied by MD techniques. Through MD, studies on the protein structures and the structural conversion are very important for revealing secrets of prion diseases and for structure-based drug design or discovery. Rabbits, dogs, horses and buffaloes are reported to be the few low susceptibility species to prion diseases; this book's MD studies on these species are clearly helpful to understand the mechanism underlying the resistance to prion diseases. PrP(1-120) usually has no clear molecular structures; this book also studies this unstructured region through MD and especially MM techniques from the global optimization point of view. This book is ideal for practitioners in computing of biophysics, biochemistry, biomedicine, bioinformatics, cheminformatics, materials science and engineering, applied mathematics and theoretical physics, information technology, operations research, biostatistics, etc. As an accessible introduction to these fields, this book is also ideal as a teaching material for students.
Large Scale Optimization With Applications
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Author : Lorenz T. Biegler
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Large Scale Optimization With Applications written by Lorenz T. Biegler and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
Many important molecular conformation problems, such as protein folding, are expressed as global minimization problems. It is the fact that local minimization is insufficient, that markedly differentiates this volume from the previous two. Unfortunately, global minimization problems that result from models of molecular conformation are usually intractable. For example, simple 1-dimensional versions of distance conformation problems are NP-hard. Nevertheless, there has been significant recent progress in the design of promising heuristic strategies (often involving the use of high- performance parallel computers) for computing approximate global minimizers. The purpose of the sessions represented in this volume was to discuss the new algorithmic advances for global minimization in the context of protein folding and related molecular minimization problems. Emphasis was on practical shortcomings of current approaches, outstanding problems and questions, and the use of high-performance parallel computers.
Global Optimization
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Author : János D. Pintér
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-10-13
Global Optimization written by János D. Pintér and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-10-13 with Mathematics categories.
Optimization models based on a nonlinear systems description often possess multiple local optima. The objective of global optimization (GO) is to find the best possible solution of multiextremal problems. This volume illustrates the applicability of GO modeling techniques and solution strategies to real-world problems. The contributed chapters cover a broad range of applications from agroecosystem management, assembly line design, bioinformatics, biophysics, black box systems optimization, cellular mobile network design, chemical process optimization, chemical product design, composite structure design, computational modeling of atomic and molecular structures, controller design for induction motors, electrical engineering design, feeding strategies in animal husbandry, the inverse position problem in kinematics, laser design, learning in neural nets, mechanical engineering design, numerical solution of equations, radiotherapy planning, robot design, and satellite data analysis. The solution strategies discussed encompass a range of practically viable methods, including both theoretically rigorous and heuristic approaches.
Encyclopedia Of Optimization
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Author : Christodoulos A. Floudas
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-09-04
Encyclopedia Of Optimization written by Christodoulos A. Floudas and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-09-04 with Mathematics categories.
The goal of the Encyclopedia of Optimization is to introduce the reader to a complete set of topics that show the spectrum of research, the richness of ideas, and the breadth of applications that has come from this field. The second edition builds on the success of the former edition with more than 150 completely new entries, designed to ensure that the reference addresses recent areas where optimization theories and techniques have advanced. Particularly heavy attention resulted in health science and transportation, with entries such as "Algorithms for Genomics", "Optimization and Radiotherapy Treatment Design", and "Crew Scheduling".