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Machine Learning in Biomolecular Simulations
Machine learning methods such as neural networks, non-linear dimensionality reduction techniques, random forests and others meet in this research topic with biomolecular simulations. The authors of eight articles applied these methods to analyze simulation results, accelerate simulations or to make molecular mechanics force fields more accurate.
Supramolecular Structure and Function 8
An enormous amount of new knowledge on the molecular basis of various biological phenomena has emerged in the rapidly expanding field of bioscience. Since the frontiers in scientific research are difficult to define‚ the creation of new knowledge depends not only on new methods and concepts but also on interaction with other fields of research. The principles and methods of biophysics should be a rational language for discussion not only between scientists of the different disciplines of natural sciences‚ such as physics‚ mathematics‚ biochemistry‚ molecular biology and biotechnology‚ but also for medicine and social sciences as well. This is the general philosophy behind the org...
Computational Intelligence Methods for Bioinformatics and Biostatistics
This book constitutes the thoroughly refereed post-conference proceedings of the Sixth International Meeting on Computational Intelligence Methods for Bioinformatics and Biostatistics, CIBB 2009, held in Genova, Italy, in October 2009. The revised 23 full papers presented were carefully reviewed and selected from 57 submissions. The main goal of the CIBB meetings is to provide a forum open to researchers from different disciplines to present and discuss problems concerning computational techniques in tools for bioinformatics, gene expression analysis and new perspectives in bioinformatics together with 4 special sessions on using game-theoretical tools in bioinformatics, combining Bayesian and machine learning approaches in bioinformatics: state of the art and future perspectives, data clustering and bioinformatics (DCB 2009) and on intelligent systems for medical decisions support (ISMDS 2009).
Applications of Fuzzy Sets Theory
The 7th International Workshop on Fuzzy Logic and Applications, held in Camogli, Italy in July 2007, presented the latest findings in the field. This volume features the refereed proceedings from that meeting. It includes 84 full papers as well as three keynote speeches. The papers are organized into topical sections covering fuzzy set theory, fuzzy information access and retrieval, fuzzy machine learning, and fuzzy architectures and systems.
Statistical Mechanics, Protein Structure, and Protein Substrate Interactions
A number of factors have come together in the last couple of decades to define the emerging interdisciplinary field of structural molecular biology. First, there has been the considerable growth in our ability to obtain atomic-resolution structural data for biological molecules in general, and proteins in particular. This is a result of advances in technique, both in x-ray crystallography, driven by the development of electronic detectors and of synchrotron radiation x-ray sources, and by the development ofNMR techniques which allow for inference of a three-dimensional structure of a protein in solution. Second, there has been the enormous development of techniques in DNA engineering which m...
Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Theoretical Biochemistry
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Biocomputing '96 - Proceedings Of The Pacific Symposium
The first Pacific Symposium on Biocomputing (PSB), will be held January 3-6, 1996 at the Ritz Carlton Hotel on the Big Island of Hawaii. PSB will bring together top researchers from North America, the Asian Pacific nations, Europe, and around the world, to exchange research results and address open issues in all aspects of computational biology. Replacing and extending the last three years of Biotechnology Computing Tracks at the Hawaiian International Conference on System Sciences, PSB will provide a forum for the presentation of work in databases, algorithms, interfaces, visualization, modelling and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology.The PSB is focussed into 4 tracks, 4 minitracks, 2 workshops and includes two invited keynote speakers, viz., Logical Simulation of Biomolecular Information Pathways (Minoru Kanehisa, Kyoto Univ.) and CEX and the Single Chemist (David Weimger, DAYLIGHT Chemical Info. Syst.)
Virtual Screening: An Alternative or Complement to High Throughput Screening?
In the next couple of years the human genome will be fully sequenced. This will provide us with the sequence and overall function of all human genes as well as the complete genome for many micro-organisms. Subsequently it is hoped, by means of powerful bioinformatic tools, to determine the gene variants that contribute to various multifactorial diseases and genes that exist in certain infectious agents but not humans. As a consequence, this will allow us to define the most appropriate levels for drug intervention. It can be expected that the number of potential drug targets will increase, possibly by a factor of 10 or more. Nevertheless, sequencing the human genome or, for that matter, the g...
Protein Folding and Drug Design
One of the great unsolved problems of science and also physics is the prediction of the three dimensional structure of a protein from its amino acid sequence: the folding problem. It may be stated that the deep connection existing between physics and protein folding is not so much, or in any case not only, through physical methods (experimental: X–rays, NMR, etc, or theoretical: statistical mechanics, spin glasses, etc), but through physical concepts. In fact, protein folding can be viewed as an emergent property not contained neither in the atoms forming the protein nor in the forces acting among them, in a similar way as superconductivity emerges as an unexpected coherent phenomenon taki...
