Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations PDF Author: Valentina Tozzini
Publisher: Frontiers Media SA
ISBN: 2889661091
Category : Science
Languages : en
Pages : 235

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Book Description
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.

Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations PDF Author: Valentina Tozzini
Publisher: Frontiers Media SA
ISBN: 2889661091
Category : Science
Languages : en
Pages : 235

Get Book Here

Book Description
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.

Computational Modeling of Biological Systems

Computational Modeling of Biological Systems PDF Author: Nikolay V Dokholyan
Publisher: Springer Science & Business Media
ISBN: 1461421454
Category : Science
Languages : en
Pages : 360

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Book Description
Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.

Protein Conformational Dynamics

Protein Conformational Dynamics PDF Author: Ke-li Han
Publisher: Springer Science & Business Media
ISBN: 3319029703
Category : Medical
Languages : en
Pages : 488

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Book Description
This book discusses how biological molecules exert their function and regulate biological processes, with a clear focus on how conformational dynamics of proteins are critical in this respect. In the last decade, the advancements in computational biology, nuclear magnetic resonance including paramagnetic relaxation enhancement, and fluorescence-based ensemble/single-molecule techniques have shown that biological molecules (proteins, DNAs and RNAs) fluctuate under equilibrium conditions. The conformational and energetic spaces that these fluctuations explore likely contain active conformations that are critical for their function. More interestingly, these fluctuations can respond actively to external cues, which introduces layers of tight regulation on the biological processes that they dictate. A growing number of studies have suggested that conformational dynamics of proteins govern their role in regulating biological functions, examples of this regulation can be found in signal transduction, molecular recognition, apoptosis, protein / ion / other molecules translocation and gene expression. On the experimental side, the technical advances have offered deep insights into the conformational motions of a number of proteins. These studies greatly enrich our knowledge of the interplay between structure and function. On the theoretical side, novel approaches and detailed computational simulations have provided powerful tools in the study of enzyme catalysis, protein / drug design, protein / ion / other molecule translocation and protein folding/aggregation, to name but a few. This work contains detailed information, not only on the conformational motions of biological systems, but also on the potential governing forces of conformational dynamics (transient interactions, chemical and physical origins, thermodynamic properties). New developments in computational simulations will greatly enhance our understanding of how these molecules function in various biological events.

Peptides Targeting Protein-Protein Interactions: Methods and Applications

Peptides Targeting Protein-Protein Interactions: Methods and Applications PDF Author: Luca Domenico D’Andrea
Publisher: Frontiers Media SA
ISBN: 2889718204
Category : Science
Languages : en
Pages : 135

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Book Description


Computational Protein-Protein Interactions

Computational Protein-Protein Interactions PDF Author: Ruth Nussinov
Publisher: CRC Press
ISBN: 142007007X
Category : Science
Languages : en
Pages : 346

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Book Description
Often considered the workhorse of the cellular machinery, proteins are responsible for functions ranging from molecular motors to signaling. The broad recognition of their involvement in all cellular processes has led to focused efforts to predict their functions from sequences, and if available, from their structures. An overview of current resear

Small Molecules and Peptide-Based Candidates as Therapeutics and Vaccines for COVID-19 Pandemic

Small Molecules and Peptide-Based Candidates as Therapeutics and Vaccines for COVID-19 Pandemic PDF Author: Da’san Mahmoud Mousa Jaradat
Publisher: Frontiers Media SA
ISBN: 2889716473
Category : Science
Languages : en
Pages : 419

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Book Description
Topic Editor Dr. Balakumar Chandrasekaran holds patents relating to N-substituted isatin hydrazones as antimycobacterial and antimicrobial agents, and Pharmaceutical Compounds. Topic Editor Dr. Munir Al-Zeer holds a patent relating to Method for the Preparation of an Influenza Virus. All other Topic Editors declare no competing interests.

Photochemistry

Photochemistry PDF Author: Stefano Crespi
Publisher: Royal Society of Chemistry
ISBN: 183916526X
Category : Science
Languages : en
Pages : 507

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Book Description
Providing critical analysis of emerging and well-established topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications. Volume 49 combines reviews on the latest advances in photochemical research with specific highlights in the field. The first section includes periodical reports of the recent literature on physical and inorganic aspects, including reviews of the molecules employed as dyes in art, light induced reactions in cryogenic matrices, photobiological systems studied by time-resolved infrared spectroscopy and photophysics, and photochemistry of transition metal complexes. This selection is completed by reviews of the literature on solar photocatalysis for water decontamination and disinfection and for water splitting/hydrogen production. Coverage continues in the second part with highlighted topics, from the use of aromatic carbonyls as photocatalysts and photoinitiators in synthesis, photoinduced and photocatalysed decarboxylation reactions, development of dye-sensitized solar cells, design of luminescent water-soluble systems, and applications of plasmonic nanoparticles. This volume also includes a third section entitled ‘SPR Lectures on Photochemistry’, where leading scientists in photochemistry provide examples to introduce a photochemical topic to academic readers, offering precious assistance to students in this field.

Issues in Proteins and Peptides Research and Application: 2013 Edition

Issues in Proteins and Peptides Research and Application: 2013 Edition PDF Author:
Publisher: ScholarlyEditions
ISBN: 1490110623
Category : Science
Languages : en
Pages : 1075

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Book Description
Issues in Proteins and Peptides Research and Application: 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Peptide Science. The editors have built Issues in Proteins and Peptides Research and Application: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Peptide Science in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Proteins and Peptides Research and Application: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Machine Learning for Peptide Structure, Function, and Design

Machine Learning for Peptide Structure, Function, and Design PDF Author: Ruiquan Ge
Publisher: Frontiers Media SA
ISBN: 2832503950
Category : Science
Languages : en
Pages : 146

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Book Description


Molecular Simulation Studies in Material and Biological Sciences

Molecular Simulation Studies in Material and Biological Sciences PDF Author: Kholmirzo Kholmurodov
Publisher: Nova Publishers
ISBN: 9781594546075
Category : Science
Languages : en
Pages : 212

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Book Description
Book & CD. Computer molecular simulations of complex multi-particle systems play a fascinating role in fundamental physics, biochemical and life sciences. Having an increasingly significant impact on many applied industries, especially in modern biophysical and nanotechnological areas, molecular simulation provides a set of tools for predicting many functional properties of molecular systems. The chemical, pharmaceutical, materials and related industries -- all share the computer molecular simulation methods. The molecular simulation studies cover different fields of either biological processes -- protein folding and electron densities of DNA and proteins, or thin film formations and surface-cluster phenomena in nanoelectronics, synthetic copolymers and biopolymer design in biochemistry, so on. Practically all of the world's present supercomputers and many specially developed high performance computing clusters over the world are performing molecular simulations or are aimed on these needs. This book presents leading international research in this dynamic field.