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Link de la búsquedaBayesian Methods in Structural Bioinformatics / SpringerLink (Online service) ; Hamelryck, Thomas ; Mardia, Kanti ; Ferkinghoff-Borg, Jesper (2012)
Título : Bayesian Methods in Structural Bioinformatics Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Hamelryck, Thomas ; Mardia, Kanti ; Ferkinghoff-Borg, Jesper Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2012 Colección: Statistics for Biology and Health, ISSN 1431-8776 Número de páginas: XXII, 386 p Il.: online resource ISBN/ISSN/DL: 978-3-642-27225-7 Idioma : Inglés (eng) Palabras clave: Statistics Molecular biology Bioinformatics Biomathematics Biophysics Biological physics for Life Sciences, Medicine, Health Sciences Medicine and Physics Mathematical Computational Biology Biology/Bioinformatics Clasificación: 51 Matemáticas Resumen: This book is an edited volume, the goal of which is to provide an overview of the current state-of-the-art in statistical methods applied to problems in structural bioinformatics (and in particular protein structure prediction, simulation, experimental structure determination and analysis). It focuses on statistical methods that have a clear interpretation in the framework of statistical physics, rather than ad hoc, black box methods based on neural networks or support vector machines. In addition, the emphasis is on methods that deal with biomolecular structure in atomic detail. The book is highly accessible, and only assumes background knowledge on protein structure, with a minimum of mathematical knowledge. Therefore, the book includes introductory chapters that contain a solid introduction to key topics such as Bayesian statistics and concepts in machine learning and statistical physics Nota de contenido: Part I Foundations: An Overview of Bayesian Inference and Graphical Models -- Monte Carlo Methods for Inferences in High-dimensional Systems -- Part II Energy Functions for Protein Structure Prediction: On the Physical Relevance and Statistical Interpretation of Knowledge based Potentials -- Statistical Machine Learning of Protein Energetics from Experimentally Observed Structures -- A Statistical View on the Reference Ratio Method -- Part III Directional Statistics and Shape Theory: Statistical Modelling and Simulation Using the Fisher-Bingham Distribution -- Statistics of Bivariate von Mises Distributions -- Bayesian Hierarchical Alignment Methods -- Likelihood and Empirical Bayes Superpositions of Multiple Macromolecular Structures -- Part IV Graphical models for structure prediction: Probabilistic Models of Local Biomolecular Structure and their Application in Structural Simulation -- Prediction of Low Energy Protein Side Chain Configurations Using Markov Random Fields -- Part V Inferring Structure from Experimental Data -- Inferential Structure Determination from NMR Data -- Bayesian Methods in SAXS and SANS Structure Determination En línea: http://dx.doi.org/10.1007/978-3-642-27225-7 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=32965 Bayesian Methods in Structural Bioinformatics [documento electrónico] / SpringerLink (Online service) ; Hamelryck, Thomas ; Mardia, Kanti ; Ferkinghoff-Borg, Jesper . - Berlin, Heidelberg : Springer Berlin Heidelberg, 2012 . - XXII, 386 p : online resource. - (Statistics for Biology and Health, ISSN 1431-8776) .
ISBN : 978-3-642-27225-7
Idioma : Inglés (eng)
Palabras clave: Statistics Molecular biology Bioinformatics Biomathematics Biophysics Biological physics for Life Sciences, Medicine, Health Sciences Medicine and Physics Mathematical Computational Biology Biology/Bioinformatics Clasificación: 51 Matemáticas Resumen: This book is an edited volume, the goal of which is to provide an overview of the current state-of-the-art in statistical methods applied to problems in structural bioinformatics (and in particular protein structure prediction, simulation, experimental structure determination and analysis). It focuses on statistical methods that have a clear interpretation in the framework of statistical physics, rather than ad hoc, black box methods based on neural networks or support vector machines. In addition, the emphasis is on methods that deal with biomolecular structure in atomic detail. The book is highly accessible, and only assumes background knowledge on protein structure, with a minimum of mathematical knowledge. Therefore, the book includes introductory chapters that contain a solid introduction to key topics such as Bayesian statistics and concepts in machine learning and statistical physics Nota de contenido: Part I Foundations: An Overview of Bayesian Inference and Graphical Models -- Monte Carlo Methods for Inferences in High-dimensional Systems -- Part II Energy Functions for Protein Structure Prediction: On the Physical Relevance and Statistical Interpretation of Knowledge based Potentials -- Statistical Machine Learning of Protein Energetics from Experimentally Observed Structures -- A Statistical View on the Reference Ratio Method -- Part III Directional Statistics and Shape Theory: Statistical Modelling and Simulation Using the Fisher-Bingham Distribution -- Statistics of Bivariate von Mises Distributions -- Bayesian Hierarchical Alignment Methods -- Likelihood and Empirical Bayes Superpositions of Multiple Macromolecular Structures -- Part IV Graphical models for structure prediction: Probabilistic Models of Local Biomolecular Structure and their Application in Structural Simulation -- Prediction of Low Energy Protein Side Chain Configurations Using Markov Random Fields -- Part V Inferring Structure from Experimental Data -- Inferential Structure Determination from NMR Data -- Bayesian Methods in SAXS and SANS Structure Determination En línea: http://dx.doi.org/10.1007/978-3-642-27225-7 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=32965 Ejemplares
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Título : Marco Antonio Chaer Nascimento : A Festschrift from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Ornellas, Fernando R ; João Ramos, Maria Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 4 Número de páginas: V, 131 p. 61 illus., 22 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41163-2 Idioma : Inglés (eng) Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in En línea: http://dx.doi.org/10.1007/978-3-642-41163-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36172 Marco Antonio Chaer Nascimento : A Festschrift from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Ornellas, Fernando R ; João Ramos, Maria . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - V, 131 p. 61 illus., 22 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 4) .
ISBN : 978-3-642-41163-2
Idioma : Inglés (eng)
Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in En línea: http://dx.doi.org/10.1007/978-3-642-41163-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36172 Ejemplares
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Título : Theoretical Chemistry in Belgium : A Topical Collection from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Champagne, Benoît ; Deleuze, Michael S ; De Proft, Frank ; Leyssens, Tom Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 6 Número de páginas: VI, 288 p. 158 illus., 98 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41315-5 Idioma : Inglés (eng) Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method En línea: http://dx.doi.org/10.1007/978-3-642-41315-5 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36175 Theoretical Chemistry in Belgium : A Topical Collection from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Champagne, Benoît ; Deleuze, Michael S ; De Proft, Frank ; Leyssens, Tom . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - VI, 288 p. 158 illus., 98 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 6) .
ISBN : 978-3-642-41315-5
Idioma : Inglés (eng)
Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method En línea: http://dx.doi.org/10.1007/978-3-642-41315-5 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36175 Ejemplares
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