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Author: Srinivas Aluru
Publisher: CRC Press
ISBN: 1420036270
Category : Computers
Languages : en
Pages : 1108
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Book Description
The enormous complexity of biological systems at the molecular level must be answered with powerful computational methods. Computational biology is a young field, but has seen rapid growth and advancement over the past few decades. Surveying the progress made in this multidisciplinary field, the Handbook of Computational Molecular Biology of
Author: Srinivas Aluru
Publisher: CRC Press
ISBN: 1420036270
Category : Computers
Languages : en
Pages : 1108
Get Book Here
Book Description
The enormous complexity of biological systems at the molecular level must be answered with powerful computational methods. Computational biology is a young field, but has seen rapid growth and advancement over the past few decades. Surveying the progress made in this multidisciplinary field, the Handbook of Computational Molecular Biology of
Author: J. Leszczynski
Publisher: Elsevier
ISBN: 008052964X
Category : Science
Languages : en
Pages : 663
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Book Description
This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with different scientific backgrounds - biologists, chemists, and physicists.The rapid development of molecular biology in recent years has been mirrored by the rapid development of computer hardware and software. This has resulted in the development of sophisticated computational techniques and a wide range of computer simulations involving such methods. Among the areas where progress has been profound is in the modeling of DNA structure and function, the understanding at a molecular level of the role of solvents in biological phenomena, the calculation of the properties of molecular associations in aqueous solutions, computationally assisted drug design, the prediction of protein structure, and protein - DNA recognition, to mention just a few examples. This volume comprises a balanced blend of contributions covering such topics. They reveal the details of computational approaches designed for biomoleucles and provide extensive illustrations of current applications of modern techniques.A broad group of readers ranging from beginning graduate students to molecular biology professions should be able to find useful contributions in this selection of reviews.
Author: Ziheng Yang
Publisher: Oxford University Press, USA
ISBN: 0198566999
Category : Medical
Languages : en
Pages : 374
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Book Description
This book describes the models, methods and algorithms that are most useful for analysing the ever-increasing supply of molecular sequence data, with a view to furthering our understanding of the evolution of genes and genomes.
Author: Peter R. Schreiner
Publisher: Wiley
ISBN: 9780470723074
Category : Science
Languages : en
Pages : 0
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Book Description
Easy access to information on all aspects of molecular computations Order the six-volume set today and benefit from the special introductory price – full details below Computational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science. Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science. In order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types: Overviews provide broad and non-technical treatment of important topics at an accessible level Key areas of research in the style of leading review journals are presented in Advanced Reviews for researchers and advanced students Focus Articles present short, technical contributions describing specific real-world issues, e.g. implementations etc. Software Reviews feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology Opinions present individual perspectives from thought leaders in the field A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry. Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections: Computer and Information Science includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc. Electronic Structure Theory covers computations of molecules based on ab initio quantum molecular methods and density functional theory Simulation Methods includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics Software describes examples of commercial and shareware software packages for molecular computations and modeling Structure and Mechanism concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms Theoretical and Physical Chemistry includes reaction dynamics, kinetics and spectroscopy Experience the scope of content in Computational Molecular Science for yourself with a selection of free articles available to download now: Predictions of protein–RNA interactions Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance Density functional theory in materials science Metadynamics Noncovalent interactions in biochemistry All chapters included in Computational Molecular Science have also been published online in WIREs Computational Molecular Science between January 2011 and June 2014. WIREs Computational Molecular Science Wiley Interdisciplinary Reviews, or short WIREs, combine the best possible features of major online reference works (didactic structure, high visibility, fast searches, and electronic accessibility) with the completeness, rigor, and overall high quality of review journals. WIREs Computational Molecular Science uses all the advantages of the WIREs concept and is the logical online successor of the highly acclaimed Encyclopedia of Computational Chemistry. As a review journal WIREs Computational Molecular Science includes all the material published in the book edition and will continue to publish much more material in the future, establishing itself as THE REVIEW JOURNAL in the field of computational chemistry and biology, offering the following advantages: An impact factor of 5.783 according to 2012 ISI Journal Citation Reports with the following Ranking: 1/47 (Mathematical & Computational Biology) and 22/152 (Chemistry Multidisciplinary) Indexed in all major A&I services such as CAS, TRSI and Scopus Important new forum to promote cross-disciplinary research on computational chemistry, biochemistry and materials science Authoritative, encyclopedic resource addressing key topics from diverse research perspectives Recommend that your librarian requests a free trial for your institution, click here For further information about WIREs Computational Molecular Science and other WIREs titles visit www.wires.wiley.com/compmolsci
Author: Geerd H.F. Diercksen
Publisher: Springer Science & Business Media
ISBN: 9400972008
Category : Science
Languages : en
Pages : 367
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Book Description
This NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time.
Author: Stephen Wilson
Publisher: Springer Science & Business Media
ISBN: 9400900392
Category : Science
Languages : en
Pages : 421
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Book Description
For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.
Author: João Carlos Setubal
Publisher: Pws Publishing Company
ISBN: 9780534952624
Category : Computers
Languages : en
Pages : 296
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Book Description
Basic concepts of molecular biology. Strings, graphs, and algorithms. Sequence comparasion and database search. Fragment assembly of DNA. Physical mapping of DNA. Phylogenetic trees. Genome rearrangements. Molecular structure prediction. epilogue: computing with DNA. Answers to selected exercises. References. index.
Author: Peter Deuflhard
Publisher: Springer Science & Business Media
ISBN: 3642583601
Category : Mathematics
Languages : en
Pages : 500
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Book Description
On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Author: S. Istrail
Publisher: Gulf Professional Publishing
ISBN: 9780444513847
Category : Computers
Languages : en
Pages : 196
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Book Description
This volume contains papers demonstrating the variety and richness of computational problems motivated by molecular biology. The application areas within biology that give rise to the problems studied in these papers include solid molecular modeling, sequence comparison, phylogeny, evolution, mapping, DNA chips, protein folding and 2D gel technology. The mathematical techniques used are algorithmics, combinatorics, optimization, probability, graph theory, complexity and applied mathematics. This is the fourth volume in the Discrete Applied Mathematics series on computational molecular biology, which is devoted to combinatorial and algorithmic techniques in computational molecular biology. This series publishes novel research results on the mathematical and algorithmic foundations of the inherently discrete aspects of computational biology. Key features: . protein folding . phylogenetic inference . 2-dimensional gel analysis . graphical models for sequencing by hybridisation . dynamic visualization of molecular surfaces . problems and algorithms in sequence alignment This book is a reprint of Discrete Applied Mathematics Volume 127, Number 1.
Author: June Gunn Lee
Publisher: CRC Press
ISBN: 1000005232
Category : Science
Languages : en
Pages : 376
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Book Description
This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
