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Author : Peter Willett
Publisher :
ISBN 13 :
Total Pages : 200 pages
Book Rating : 4.F/5 ( download)
Download or read book Computational Methods for the Analysis of Molecular Diversity written by Peter Willett and published by . This book was released on 1997 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Perspectives in Drug Discovery and Design written by and published by . This book was released on 1997 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126140
Total Pages : 360 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry, Volume 10 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Not only a major reference work for sale to the library market, Reviews in Computational Chemistry is now a purchase by individuals due to the explosive growth in the use of computational chemistry throughout many scientific disciplines. In an instructional and nonmathematical style, these books provide an access to computational methods often outside a researcher's area of expertise. Volumes 9 & 10 represent the next two volumes in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. Many chapters are written as tutorials to introduce the many facets of computational chemistry, including molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). The authors provide necessary background and theory, strategies for implementing the methods, pitfalls to avoid, applications, and references.
Author : Francisco A. Gómez Vela
Publisher : MDPI
ISBN 13 : 3039437712
Total Pages : 222 pages
Book Rating : 4.0/5 (394 download)
Download or read book Computational Methods for the Analysis of Genomic Data and Biological Processes written by Francisco A. Gómez Vela and published by MDPI. This book was released on 2021-02-05 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent decades, new technologies have made remarkable progress in helping to understand biological systems. Rapid advances in genomic profiling techniques such as microarrays or high-performance sequencing have brought new opportunities and challenges in the fields of computational biology and bioinformatics. Such genetic sequencing techniques allow large amounts of data to be produced, whose analysis and cross-integration could provide a complete view of organisms. As a result, it is necessary to develop new techniques and algorithms that carry out an analysis of these data with reliability and efficiency. This Special Issue collected the latest advances in the field of computational methods for the analysis of gene expression data, and, in particular, the modeling of biological processes. Here we present eleven works selected to be published in this Special Issue due to their interest, quality, and originality.
Author : S.L. Salzberg
Publisher : Elsevier
ISBN 13 : 0080860931
Total Pages : 399 pages
Book Rating : 4.0/5 (88 download)
Download or read book Computational Methods in Molecular Biology written by S.L. Salzberg and published by Elsevier. This book was released on 1998-06-19 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational biology is a rapidly expanding field, and the number and variety of computational methods used for DNA and protein sequence analysis is growing every day. These algorithms are extremely valuable to biotechnology companies and to researchers and teachers in universities. This book explains the latest computer technology for analyzing DNA, RNA, and protein sequences. Clear and easy to follow, designed specifically for the non-computer scientist, it will help biologists make better choices on which algorithm to use. New techniques and demonstrations are elucidated, as are state-of-the-art problems, and more advanced material on the latest algorithms. The primary audience for this volume are molecular biologists working either in biotechnology companies or academic research environments, individual researchers and the institutions they work for, and students. Any biologist who relies on computers should want this book. A secondary audience will be computer scientists developing techniques with applications in biology. An excellent reference for leading techniques, it will also help introduce computer scientists to the biology problems. This is an outstanding work which will be ideal for the increasing number of scientists moving into computational biology.
Author : Adam Liwo
Publisher : Springer Science & Business Media
ISBN 13 : 3642285546
Total Pages : 809 pages
Book Rating : 4.6/5 (422 download)
Download or read book Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes written by Adam Liwo and published by Springer Science & Business Media. This book was released on 2013-07-17 with total page 809 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over the world, address the theory and practice of computer simulation techniques in the study of biological phenomena. The chapters are grouped into four thematic sections dealing with the following topics: the methodology of molecular simulations; applications of molecular simulations; bioinformatics methods and use of experimental information in molecular simulations; and selected applications of molecular quantum mechanics. The book includes an introductory chapter written by Harold A. Scheraga, one of the true pioneers in simulation studies of biomacromolecules.
Author : Bernhard Schölkopf
Publisher : MIT Press
ISBN 13 : 9780262195096
Total Pages : 428 pages
Book Rating : 4.1/5 (95 download)
Download or read book Kernel Methods in Computational Biology written by Bernhard Schölkopf and published by MIT Press. This book was released on 2004 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: A detailed overview of current research in kernel methods and their application to computational biology.
Author : Bernhard Haubold
Publisher : Springer Science & Business Media
ISBN 13 : 3764373873
Total Pages : 329 pages
Book Rating : 4.7/5 (643 download)
Download or read book Introduction to Computational Biology written by Bernhard Haubold and published by Springer Science & Business Media. This book was released on 2006-08-09 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written with the advanced undergraduate in mind, this book introduces into the field of Bioinformatics. The authors explain the computational and conceptional background to the analysis of large-scale sequence data. Many of the corresponding analysis methods are rooted in evolutionary thinking, which serves as a common thread throughout the book. The focus is on methods of comparative genomics and subjects covered include: alignments, gene finding, phylogeny, and the analysis of single nucleotide polymorphisms (SNPs). The volume contains exercises, questions & answers to selected problems.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0471461423
Total Pages : 384 pages
Book Rating : 4.4/5 (714 download)
Download or read book Reviews in Computational Chemistry, Volume 18 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-04-14 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Seit vielen Jahren praxisbewährt! Auch dieser 18. Band der Reihe Reviews in Computational Chemistry gibt Studenten und Forschern einen Einblick in Rechenverfahren, die sie anwenden wollen, ohne daß die theoretischen Grundlagen zu ihrem Arbeitsgebiet gehören. Das methodische Spektrum umfaßt Molecular Modeling, Quantenchemie, CAMD, QSAR, Molekülmechanik und -dynamik. Mit einem Autoren- und einem Stichwortverzeichnis sowie einer ausführlichen Softwareliste, die Hunderte von Programmen, Dienstleistungen und Anbietern umfaßt.
Author : Eric M. Gordon
Publisher : Wiley-Liss
ISBN 13 :
Total Pages : 552 pages
Book Rating : 4.3/5 (91 download)
Download or read book Combinatorial Chemistry and Molecular Diversity in Drug Discovery written by Eric M. Gordon and published by Wiley-Liss. This book was released on 1998-08-27 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Increasing pressure to identify, optimize, develop, and commercialize novel drugs more rapidly and more cost-effectively has led to an urgent demand for technologies that can reduce the time to market for new products. Molecular diversity, of both natural and synthetic materials, provides a valuable source of compounds for identifying and optimizing new drug leads. Through the rapidly evolving technology of combinatorial chemistry, it is now possible to produce libraries of small molecules to screen for novel bioactivities. This powerful new technology has begun to help pharmaceutical companies find new drug candidates quickly, save significant dollars in preclinical development costs, and ultimately change their fundamental approach to drug discovery. Included among the many topics: Historical background. Library strategy and design. Solid-phase synthesis. Small molecular libraries. Automation, analytical, and computational methodology. Biological diversity. Strategies for screening combinatorial libraries. Combinatorial drug screening and development. Combinatorial chemistry information management.
Author : P.M. Dean
Publisher : Springer Science & Business Media
ISBN 13 : 0306468735
Total Pages : 261 pages
Book Rating : 4.3/5 (64 download)
Download or read book Molecular Diversity in Drug Design written by P.M. Dean and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of organic chemistry, Furthermore, all the molecules can be screened in the same short period. However, like any weapons of immense power, these techniques must be used with care, to achieve maximum impact. The costs of implementing and running high-throughput screening and combinatorial chemistry are high, as large dedicated facilities must be built and staffed. In addition, the sheer number of chemical leads generated may overwhelm the lead optimisation teams in a hail of friendly fire. Mother nature has not entirely surrendered, as the number of building blocks that could be used to build libraries would require more atoms than there are in the universe. In addition, the progress made by the Human Genome Project has uncovered many proteins with different functions but related binding sites, creating issues of selectivity. Advances in the new field of pharmacogenomics will produce more of these challenges. There is a real need to make hi- throughput screening and combinatorial chemistry into 'smart' weapons, so that their power is not dissipated. That is the challenge for modellers, computational chemists, cheminformaticians and IT experts. In this book, we have broken down this grand challenge into key tasks.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126213
Total Pages : 370 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry, Volume 16 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 16 Reviews In Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials and designing new substances, and (4) free energy perturbation methods of practical usefulness in ligand design. From Reviews of the Series "This series spans all the subdisciplines in the field, from techniques to practical applications, and includes reviews from many of the acknowledged leaders in the field. the reviews cross many subdisciplines yet are both general enough to be of wide interest while including detailed information of use to workers in particular subdisciplines." -Journal of the American Chemical Society
Author : Andrew R. Leach
Publisher : Springer
ISBN 13 : 1402062915
Total Pages : 260 pages
Book Rating : 4.4/5 (2 download)
Download or read book An Introduction to Chemoinformatics written by Andrew R. Leach and published by Springer. This book was released on 2007-09-04 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.
Author : Andrew R. Leach
Publisher : Springer
ISBN 13 : 1402062915
Total Pages : 260 pages
Book Rating : 4.4/5 (2 download)
Download or read book An Introduction to Chemoinformatics written by Andrew R. Leach and published by Springer. This book was released on 2007-09-04 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.
Author : H. van der Goot
Publisher : Elsevier
ISBN 13 : 0080543235
Total Pages : 273 pages
Book Rating : 4.0/5 (85 download)
Download or read book Trends in Drug Research III written by H. van der Goot and published by Elsevier. This book was released on 2002-01-25 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: The tradition of setting new trends in medicinal chemistry continued at the 13th Symposium where topics included chemical and biological diversity, new paradigms in drug action, and new insights in receptor mechanisms. Other topics of great interest discussed, and included in these proceedings, are the discoveries in green chemistry, the interface between organic synthesis and biosynthesis, the growing problem of resistant micro-organisms and the possibilities to identify new, and better, antibiotics. And finally, in recent developments, the discovery of small molecules with insulin sensitizing properties.
Author : Srinivas Aluru
Publisher : Chapman and Hall/CRC
ISBN 13 : 9781584884064
Total Pages : 1104 pages
Book Rating : 4.8/5 (84 download)
Download or read book Handbook of Computational Molecular Biology written by Srinivas Aluru and published by Chapman and Hall/CRC. This book was released on 2005-12-21 with total page 1104 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 offers comprehensive, systematic coverage of the various techniques and methodologies currently available. Accomplished researcher Srinivas Aluru leads a team of experts from around the world to produce this groundbreaking, authoritative reference. With discussions ranging from fundamental concepts to practical applications, this book details the algorithms necessary to solve novel problems and manage the massive amounts of data housed in biological databases throughout the world. Divided into eight sections for convenient searching, the handbook covers methods and algorithms for sequence alignment, string data structures, sequence assembly and clustering, genome-scale computational methods in comparative genomics, evolutionary and phylogenetic trees, microarrays and gene expression analysis, computational methods in structural biology, and bioinformatics databases and data mining. The Handbook of Computational Molecular Biology is the first resource to integrate coverage of the broad spectrum of topics in computational biology and bioinformatics. It supplies a quick-reference guide for easy implementation and provides a strong foundation for future discoveries in the field.
Author :
Publisher :
ISBN 13 : 9780444803030
Total Pages : 371 pages
Book Rating : 4.8/5 (3 download)
Download or read book Computational Methods in Molecular Biology written by and published by . This book was released on 1998 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt:
