Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly

Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly
Author:
Publisher: Academic Press
Total Pages: 554
Release: 2020-03-05
Genre: Science
ISBN: 0128211377

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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. Includes comprehensive coverage on molecular biology Presents ample use of tables, diagrams, schemata and color figures to enhance the reader's ability to rapidly grasp the information provided Contains contributions from renowned experts in the field

Computational Methods for Protein Structure Prediction and Modeling

Computational Methods for Protein Structure Prediction and Modeling
Author: Ying Xu
Publisher: Springer Science & Business Media
Total Pages: 408
Release: 2007-08-24
Genre: Science
ISBN: 0387683720

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Volume One of this two-volume sequence focuses on the basic characterization of known protein structures, and structure prediction from protein sequence information. Eleven chapters survey of the field, covering key topics in modeling, force fields, classification, computational methods, and structure prediction. Each chapter is a self contained review covering definition of the problem and historical perspective; mathematical formulation; computational methods and algorithms; performance results; existing software; strengths, pitfalls, challenges, and future research.

Computational Approaches to Protein Dynamics

Computational Approaches to Protein Dynamics
Author: Monika Fuxreiter
Publisher: CRC Press
Total Pages: 458
Release: 2014-12-24
Genre: Science
ISBN: 1482297868

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The Latest Developments on the Role of Dynamics in Protein FunctionsComputational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, an

Computational Methods for Protein Structure Prediction and Modeling

Computational Methods for Protein Structure Prediction and Modeling
Author: Ying Xu
Publisher: Springer Science & Business Media
Total Pages: 335
Release: 2010-05-05
Genre: Science
ISBN: 0387688250

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Volume Two of this two-volume sequence presents a comprehensive overview of protein structure prediction methods and includes protein threading, De novo methods, applications to membrane proteins and protein complexes, structure-based drug design, as well as structure prediction as a systems problem. A series of appendices review the biological and chemical basics related to protein structure, computer science for structural informatics, and prerequisite mathematics and statistics.

Computational Methods for Protein Folding, Volume 120

Computational Methods for Protein Folding, Volume 120
Author: Richard A. Friesner
Publisher: John Wiley & Sons
Total Pages: 544
Release: 2004-04-07
Genre: Science
ISBN: 0471465232

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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.

Protein Interactions

Protein Interactions
Author: M. Michael Gromiha
Publisher:
Total Pages:
Release: 2020
Genre: Protein-protein interactions
ISBN: 9789811211874

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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
Author: Adam Liwo
Publisher: Springer
Total Pages: 851
Release: 2018-12-19
Genre: Technology & Engineering
ISBN: 3319958437

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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.