Innovations in Biomolecular Modeling and Simulations

Innovations in Biomolecular Modeling and Simulations PDF Author: Tamar Schlick
Publisher: Royal Society of Chemistry
ISBN: 1849734615
Category : Biomolecules
Languages : en
Pages : 381

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Book Description
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.

Innovations in Biomolecular Modeling and Simulations

Innovations in Biomolecular Modeling and Simulations PDF Author: Tamar Schlick
Publisher: Royal Society of Chemistry
ISBN: 1849734615
Category : Biomolecules
Languages : en
Pages : 381

Get Book Here

Book Description
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.

Innovations in Biomolecular Modeling and Simulations

Innovations in Biomolecular Modeling and Simulations PDF Author: Tamar Schlick
Publisher: Royal Society of Chemistry
ISBN: 1849735042
Category : Science
Languages : en
Pages : 381

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Book Description
The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.

Recent Developments in Biomolecular NMR

Recent Developments in Biomolecular NMR PDF Author: Marius Clore
Publisher: Royal Society of Chemistry
ISBN: 1849731209
Category : Science
Languages : en
Pages : 362

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Book Description
This text draws together experts in the field to discuss advances in nuclear magnetic resonance methods that have occurred or had an impact on the biomolecular field in the last few years.

Machine Learning in Biomolecular Simulations

Machine Learning in Biomolecular Simulations PDF Author: Gennady Verkhivker
Publisher: Frontiers Media SA
ISBN: 2889631362
Category :
Languages : en
Pages : 129

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Book Description
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.

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes PDF Author: Adam Liwo
Publisher: Springer
ISBN: 3319958437
Category : Technology & Engineering
Languages : en
Pages : 849

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Book Description
This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Foundations of Molecular Modeling and Simulation

Foundations of Molecular Modeling and Simulation PDF Author: Edward J. Maginn
Publisher: Springer Nature
ISBN: 9813366397
Category : Science
Languages : en
Pages : 228

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Book Description
This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.

DNA Conjugates and Sensors

DNA Conjugates and Sensors PDF Author: Keith R Fox
Publisher: Royal Society of Chemistry
ISBN: 1849734933
Category : Science
Languages : en
Pages : 317

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Book Description
Applications of nucleic acids have developed recently to provide solutions for biosensors, diagnostic tools and as platforms for the assembly of complex structures. These developments have been possible as their base sequence can be used to assemble precise structures following simple and predictable rules. Self-assembled DNA can then be amplified using polymerase chain reaction (PCR) and this ultimately enables the preparation of synthetic nucleic acids. Their use as molecular tools or DNA-conjugates has recently been enhanced by the addition of other groups including enzymes, fluorophores and small molecules. Written by leaders in the field, this volume describes the preparation and application of these DNA-conjugates. Several have been used as sensors (aptamers, riboswitches and nanostructures) based on the ability of nucleic acids to adopt specific structures in the presence of ligands, whilst others link reporter groups such as proteins or fluorophores to RNA or DNA for detection, single molecule studies, and increasing the sensitivity of PCR. The book is relevant to researchers in areas related to analytical chemistry, chemical biology, medicinal chemistry, molecular pharmacology, and structural and molecular biology.

Coarse-Grained Modeling of Biomolecules

Coarse-Grained Modeling of Biomolecules PDF Author: Garegin A. Papoian
Publisher: CRC Press
ISBN: 1315356708
Category : Science
Languages : en
Pages : 399

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Book Description
"The chapters in this book survey the progress in simulating biomolecular dynamics.... The images conjured up by this work are not yet universally loved, but are beginning to bring new insights into the study of biological structure and function. The future will decide whether this scientific movement can bring forth its Picasso or Modigliani." –from the Foreword by Peter G. Wolynes, Bullard-Welch Foundation Professor of Science, Rice University This book highlights the state-of-art in coarse-grained modeling of biomolecules, covering both fundamentals as well as various cutting edge applications. Coarse-graining of biomolecules is an area of rapid advances, with numerous new force fields having appeared recently and significant progress made in developing a systematic theory of coarse-graining. The contents start with first fundamental principles based on physics, then survey specific state-of-art coarse-grained force fields of proteins and nucleic acids, and provide examples of exciting biological problems that are at large scale, and hence, only amenable to coarse-grained modeling. Introduces coarse-grained models of proteins and nucleic acids. Showcases applications such as genome packaging in nuclei and understanding ribosome dynamics Gives the physical foundations of coarse-graining Demonstrates use of models for large-scale assemblies in modern studies Garegin A. Papoian is the first Monroe Martin Associate Professor with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology at the University of Maryland.

Molecular Modeling and Simulation

Molecular Modeling and Simulation PDF Author: Tamar Schlick
Publisher: Springer Science & Business Media
ISBN: 0387224645
Category : Science
Languages : en
Pages : 669

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Book Description
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Innovations in Biomolecular Modeling and Simulations: Personal perspective

Innovations in Biomolecular Modeling and Simulations: Personal perspective PDF Author: Tamar Schlick
Publisher:
ISBN:
Category : Biomolecules
Languages : en
Pages : 0

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Book Description
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.