Computational Peptidology

Computational Peptidology PDF Author: Peng Zhou
Publisher: Humana Press
ISBN: 9781493922864
Category : Science
Languages : en
Pages : 338

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Book Description
In this volume expert researchers detail in silico methods widely used to study peptides. These include methods and techniques covering the database, molecular docking, dynamics simulation, data mining, de novo design and structure modeling of peptides and protein fragments. Chapters focus on integration and application of technologies to analyze, model, identify, predict, and design a wide variety of bioactive peptides, peptide analogues and peptide drugs, as well as peptide-based biomaterials. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Computational Peptidology seeks to aid scientists in the further study into this newly rising subfield.

Computational Peptidology

Computational Peptidology PDF Author: Peng Zhou
Publisher: Humana Press
ISBN: 9781493922864
Category : Science
Languages : en
Pages : 338

Get Book Here

Book Description
In this volume expert researchers detail in silico methods widely used to study peptides. These include methods and techniques covering the database, molecular docking, dynamics simulation, data mining, de novo design and structure modeling of peptides and protein fragments. Chapters focus on integration and application of technologies to analyze, model, identify, predict, and design a wide variety of bioactive peptides, peptide analogues and peptide drugs, as well as peptide-based biomaterials. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Computational Peptidology seeks to aid scientists in the further study into this newly rising subfield.

Computational Peptide Science

Computational Peptide Science PDF Author: Thomas Simonson
Publisher: Humana
ISBN: 9781071618547
Category : Science
Languages : en
Pages : 427

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Book Description
This volume details current and new computational methodologies to study peptides. Chapters guide readers through antimicrobial peptides, foldability, amyloid sheet formation, membrane-active peptides, organized peptide assemblies, protein-peptide interfaces, prediction of peptide-MHC complexes, advanced free energy simulations for peptide binding, and methods for high throughput peptide or miniprotein design. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials, software, and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Peptides Science: Methods and Protocols aims to provide concepts, methods, and guidelines to help both novices and experienced workers benefit from today's new opportunities and challenges.

Computational Drug Discovery

Computational Drug Discovery PDF Author: Pooja A. Chawla
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3111207110
Category : Science
Languages : en
Pages : 440

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Book Description
Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence

Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence PDF Author: Fei Ye
Publisher: Frontiers Media SA
ISBN: 2889767841
Category : Science
Languages : en
Pages : 205

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Book Description


Special Protein Molecules Computational Identification

Special Protein Molecules Computational Identification PDF Author: Quan Zou
Publisher: MDPI
ISBN: 3038970433
Category : Science
Languages : en
Pages : 305

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Book Description
This book is a printed edition of the Special Issue "Special Protein Molecules Computational Identification" that was published in IJMS

Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly

Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly PDF Author:
Publisher: Academic Press
ISBN: 0128211377
Category : Science
Languages : en
Pages : 554

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Book Description
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

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


Computer Simulations of Aggregation of Proteins and Peptides

Computer Simulations of Aggregation of Proteins and Peptides PDF Author: Mai Suan Li
Publisher: Humana
ISBN: 9781071615485
Category : Science
Languages : en
Pages : 0

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Book Description
This volume provides computational methods and reviews various aspects of computational studies of protein aggregation. Chapters discuss the relationship between protein misfolding and protein aggregation, methods of prediction of aggregation propensities of protein, peptides, protein structure, results of computer simulations of aggregation, and computational simulations focused on specific diseases such as Alzheimer’s, Parkinson’s, and preeclampsia. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computer Simulations of Aggregation of Proteins and Peptides aims to ensure successful results in the further study of this vital field.

Computational Methods For Understanding Bacterial And Archaeal Genomes

Computational Methods For Understanding Bacterial And Archaeal Genomes PDF Author: Ying Xu
Publisher: World Scientific
ISBN: 1908979011
Category : Science
Languages : en
Pages : 494

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Book Description
Over 500 prokaryotic genomes have been sequenced to date, and thousands more have been planned for the next few years. While these genomic sequence data provide unprecedented opportunities for biologists to study the world of prokaryotes, they also raise extremely challenging issues such as how to decode the rich information encoded in these genomes. This comprehensive volume includes a collection of cohesively written chapters on prokaryotic genomes, their organization and evolution, the information they encode, and the computational approaches needed to derive such information. A comparative view of bacterial and archaeal genomes, and how information is encoded differently in them, is also presented. Combining theoretical discussions and computational techniques, the book serves as a valuable introductory textbook for graduate-level microbial genomics and informatics courses./a

Computational Prediction of Protein Complexes from Protein Interaction Networks

Computational Prediction of Protein Complexes from Protein Interaction Networks PDF Author: Sriganesh Srihari
Publisher: Morgan & Claypool
ISBN: 1970001542
Category : Science
Languages : en
Pages : 259

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Book Description
Complexes of physically interacting proteins constitute fundamental functional units that drive almost all biological processes within cells. A faithful reconstruction of the entire set of protein complexes (the "complexosome") is therefore important not only to understand the composition of complexes but also the higher level functional organization within cells. Advances over the last several years, particularly through the use of high-throughput proteomics techniques, have made it possible to map substantial fractions of protein interactions (the "interactomes") from model organisms including Arabidopsis thaliana (a flowering plant), Caenorhabditis elegans (a nematode), Drosophila melanogaster (fruit fly), and Saccharomyces cerevisiae (budding yeast). These interaction datasets have enabled systematic inquiry into the identification and study of protein complexes from organisms. Computational methods have played a significant role in this context, by contributing accurate, efficient, and exhaustive ways to analyze the enormous amounts of data. These methods have helped to compensate for some of the limitations in experimental datasets including the presence of biological and technical noise and the relative paucity of credible interactions. In this book, we systematically walk through computational methods devised to date (approximately between 2000 and 2016) for identifying protein complexes from the network of protein interactions (the protein-protein interaction (PPI) network). We present a detailed taxonomy of these methods, and comprehensively evaluate them for protein complex identification across a variety of scenarios including the absence of many true interactions and the presence of false-positive interactions (noise) in PPI networks. Based on this evaluation, we highlight challenges faced by the methods, for instance in identifying sparse, sub-, or small complexes and in discerning overlapping complexes, and reveal how a combination of strategies is necessary to accurately reconstruct the entire complexosome.