Computational Approaches For Understanding Dynamical Systems Protein Folding And Assembly

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Computational Approaches For Understanding Dynamical Systems Protein Folding And Assembly
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Author :
language : en
Publisher: Academic Press
Release Date : 2020-03-04
Computational Approaches For Understanding Dynamical Systems Protein Folding And Assembly written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-04 with Science categories.
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more.
Protein Interactions
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Author : Volkhard Helms
language : en
Publisher: John Wiley & Sons
Release Date : 2022-11-15
Protein Interactions written by Volkhard Helms and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-15 with Science categories.
Protein Interactions A fundamental guide to the burgeoning field of protein interactions From enzymes to transcription factors to cell membrane receptors, proteins are at the heart of biological cell function. Virtually all cellular processes are governed by their interactions, with one another, with cell bodies, with DNA, or with small molecules. The systematic study of these interactions is called Interactomics, and research within this new field promises to shape the future of molecular cell biology. Protein Interactions goes beyond any existing guide to protein interactions, presenting the first truly comprehensive overview of the field. Edited by two leading scholars in the field of protein bioinformatics, this book covers all known categories of protein interaction, stable as well as transient, as well as the effect of mutations and post-translational modifications on the interaction behavior. Protein Interactions readers will also find: Introductory chapters on protein structure, conformational dynamics, and protein-protein binding interfaces A data-driven approach incorporating machine learning and integrating experimental data into computational models An outlook on the current challenges in the field and suggestions for future research Protein Interactions will serve as a fundamental resource for novice researchers who want a systematic introduction to interactomics, as well as for experienced cell biologists and bioinformaticians who want to gain an edge in this exciting new field.
Dancing Protein Clouds Intrinsically Disordered Proteins In The Norm And Pathology Part C
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Author :
language : en
Publisher: Academic Press
Release Date : 2021-10-14
Dancing Protein Clouds Intrinsically Disordered Proteins In The Norm And Pathology Part C written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-14 with Science categories.
Dancing Protein Clouds: Intrinsically Disordered Proteins in the Norm and Pathology, Part C, Volume 183 represents a set of selected studies on a variety of research topics related to intrinsically disordered proteins. Topics in this volume include discussions on the evolution of disorder, consideration of the peculiarities of phase separation of the prion protein, a general discussion of the relationships between intrinsic disorder and protein functions, coverage of the structural and functional characterization of several important intrinsically disordered proteins, such as transcription factors, outer membrane porins, trans-membrane and membrane associated proteins with ID regions, discussion of molecular simulations of IDPs, and much more. - Provides recent studies on the intrinsically disordered proteins and their functions, along with the involvement of intrinsically disordered proteins in the pathogenesis of various diseases - Contains numerous illustrative materials (color figures, diagrams and tables) to help readers delve into the information provided - Includes contributions from recognized experts in the field
Practical Aspects Of Computational Chemistry V
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Author : Jerzy Leszczynski
language : en
Publisher: Springer Nature
Release Date : 2021-10-21
Practical Aspects Of Computational Chemistry V written by Jerzy Leszczynski and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-21 with Science categories.
This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.
Federal Plan For High End Computing
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Author :
language : en
Publisher:
Release Date : 2004
Federal Plan For High End Computing written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Computer networks categories.
Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics
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Author : National Academies of Sciences, Engineering, and Medicine
language : en
Publisher: National Academies Press
Release Date : 2018-10-18
Report Of The Committee On Proposal Evaluation For Allocation Of Supercomputing Time For The Study Of Molecular Dynamics written by National Academies of Sciences, Engineering, and Medicine and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-18 with Computers categories.
This report describes the work of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Ninth Round. The committee evaluated submissions received in response to a Request for Proposals (RFP) for biomolecular simulation time on Anton 2, a supercomputer specially designed and built by D.E. Shaw Research (DESRES). Over the past 8 years, DESRES has made an Anton or Anton 2 system housed at the Pittsburgh Supercomputing Center (PSC) available to the non-commercial research community, based on the advice of previous National Research Council committees. As in prior rounds, the goal of the ninth RFP for simulation time on Anton 2 is to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations. The program seeks to continue to support research that addresses important and high impact questions demonstrating a clear need for Anton's special capabilities. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Ninth Round is the final report of the committee's evaluation of proposals based on scientific merit, justification for requested time allocation, and investigator qualifications and past accomplishments. This report identifies the proposals that best met the selection criteria.
Computational Methods For Protein Folding Volume 120
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Author : Richard A. Friesner
language : en
Publisher: John Wiley & Sons
Release Date : 2004-03-24
Computational Methods For Protein Folding Volume 120 written by Richard A. Friesner and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-24 with Science categories.
Since the first attempts to model proteins on a computer began almost thirty years ago, our understanding of protein structure and dynamics has dramatically increased. Spectroscopic measurement techniques continue to improve in resolution and sensitivity, allowing a wealth of information to be obtained with regard to the kinetics of protein folding and unfolding, and complementing the detailed structural picture of the folded state. Concurrently, algorithms, software, and computational hardware have progressed to the point where both structural and kinetic problems may be studied with a fair degree of realism. Despite these advances, many major challenges remain in understanding protein folding at both the conceptual and practical levels. Computational Methods for Protein Folding seeks to illuminate recent advances in computational modeling of protein folding in a way that will be useful to physicists, chemists, and chemical physicists. Covering a broad spectrum of computational methods and practices culled from a variety of research fields, the editors present a full range of models that, together, provide a thorough and current description of all aspects of protein folding. A valuable resource for both students and professionals in the field, the book will be of value both as a cutting-edge overview of existing information and as a catalyst for inspiring new studies. Computational Methods for Protein Folding is the 120th volume in the acclaimed series Advances in Chemical Physics, a compilation of scholarly works dedicated to the dissemination of contemporary advances in chemical physics, edited by Nobel Prize-winner Ilya Prigogine.
The Protein Folding Problem And Tertiary Structure Prediction
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Author : Kenneth M.Jr. Merz
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Protein Folding Problem And Tertiary Structure Prediction written by Kenneth M.Jr. Merz and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Medical categories.
A solution to the protein folding problem has eluded researchers for more than 30 years. The stakes are high. Such a solution will make 40,000 more tertiary structures available for immediate study by translating the DNA sequence information in the sequence databases into three-dimensional protein structures. This translation will be indispensable for the analy sis of results from the Human Genome Project, de novo protein design, and many other areas of biotechnological research. Finally, an in-depth study of the rules of protein folding should provide vital clues to the protein fold ing process. The search for these rules is therefore an important objective for theoretical molecular biology. Both experimental and theoretical ap proaches have been used in the search for a solution, with many promising results but no general solution. In recent years, there has been an exponen tial increase in the power of computers. This has triggered an incredible outburst of theoretical approaches to solving the protein folding problem ranging from molecular dynamics-based studies of proteins in solution to the actual prediction of protein structures from first principles. This volume attempts to present a concise overview of these advances. Adrian Roitberg and Ron Elber describe the locally enhanced sam pling/simulated annealing conformational search algorithm (Chapter 1), which is potentially useful for the rapid conformational search of larger molecular systems.
Soft Nanotechnology
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Author :
language : en
Publisher:
Release Date : 2009
Soft Nanotechnology written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Science categories.
This book will incorporate aspects of structuring soft-materials at the nanoscale and the incorporation of such materials into actual devices. Soft nanotechnology aims to build on our knowledge of biological systems, by implementing self-assembly and 'wet chemistry' into electronic devices, actuators, fluidics, etc. Understanding, predicting and utilising the rules of self-assembly (be it at solid liquid interfaces, in solution, or in block copolymers) and interface the resulting complex structures in well-defined 2D and 3D arrangements. This timely book will appeal to scientists, researchers and anyone working in this field.
Manufacturing Techniques For Materials
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Author : T.S. Srivatsan
language : en
Publisher: CRC Press
Release Date : 2018-04-09
Manufacturing Techniques For Materials written by T.S. Srivatsan and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-09 with Technology & Engineering categories.
Manufacturing Techniques for Materials: Engineering and Engineered provides a cohesive and comprehensive overview of the following: (i) prevailing and emerging trends, (ii) emerging developments and related technology, and (iii) potential for the commercialization of techniques specific to manufacturing of materials. The first half of the book provides the interested reader with detailed chapters specific to the manufacturing of emerging materials, such as additive manufacturing, with a valued emphasis on the science, technology, and potentially viable practices specific to the manufacturing technique used. This section also attempts to discuss in a lucid and easily understandable manner the specific advantages and limitations of each technique and goes on to highlight all of the potentially viable and emerging technological applications. The second half of this archival volume focuses on a wide spectrum of conventional techniques currently available and being used in the manufacturing of both materials and resultant products. Manufacturing Techniques for Materials is an invaluable tool for a cross-section of readers including engineers, researchers, technologists, students at both the graduate level and undergraduate level, and even entrepreneurs.