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.

Advances in Protein and Peptide Sciences is a book series focused on leading-edge research on the structure, physical properties, and functions of proteins and peptides. The series presents highly cited contributions first published in the journal Current Protein and Peptide Science. Authors of these contributions have updated their work with new experimental data and references following their initial research. Each volume highlights a number of important topics in current research in the field of protein and peptide chemistry and molecular biology, including membrane proteins and their interactions with ligands, computational methods, and proteins in disease and biotechnology.

Frontiers in Protein and Peptide Sciences is a book series focused on leading-edge research on the structure, physical properties, and functions of proteins and peptides. Authors of contributions in this series have updated their work with new experimental data and references following their initial research. Each volume highlights a number of important topics in current research in the field of protein and peptide chemistry and molecular biology, including membrane proteins and their interactions with ligands, computational methods, and proteins in disease and biotechnology. The series is essential reading for protein chemists and researchers seeking the latest information about protein and peptide research.

De novo Peptide Design: Principles and Applications presents the latest developments in the fields of therapeutic peptides and bio-nanotechnology. The title focuses on the design of peptides, particularly how peptides may be tailored to specific functions. It includes computational and experimental protocols to assist in the design of peptides. Sections cover the basics of protein and peptide structure, modeling and simulation, solid phase peptide synthesis, peptide-based antibiotics, drug delivery, peptide nanomaterials, aromatic interactions directing nano-assembly, protein/peptide aggregation, therapeutic interventions against protein/peptide aggregation diseases, peptide based hydrogels, computational tools and algorithms for peptide design, and experimental protocols in peptide chemistry. In addition, the book covers key aspects in peptide design, providing a solution for researchers working within the 'peptidic universe' to create new therapeutic agents. - Gives comprehensive coverage, including peptide design, modeling, synthesis and applications - Presents emerging topics in the design of peptide-based therapeutics - Details the latest developments in the fields of therapeutic peptides and bio-nanotechnology - Considers peptide design and the tailoring of peptides to specific functions - Offers computational tools and algorithms for peptide design and experimental protocols for peptide chemistry

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.

Provides an interdisciplinary introduction to peptide science, covering their properties and synthesis, as well as many contemporary applications Peptides are biomolecules comprised of amino acids which play an important role in modulating many physiological processes in our body. This book presents an interdisciplinary approach and general introduction to peptide science, covering contemporary topics including their applicability in therapeutics, peptide hormones, amyloid structures, self-assembled structures, hydrogels, and peptide conjugates including lipopeptides and polymer-peptide conjugates. In addition, it discusses basic properties and synthesis clearly and concisely. Taking a logical approach to the subject, Introduction to Peptide Science gives readers the fundamental knowledge that is required to understand the cutting-edge material which comes later in the book. It offers readers in-depth chapter coverage of the basic properties of peptides; synthesis; amyloid and peptide aggregate structures; antimicrobial peptides and cell-penetrating peptides; and peptide therapeutics and peptide hormones. Introduces readers to peptide science, including synthesis and properties Provides unique content covering properties, synthesis, self-assembly, aggregation, and applications Summarizes contemporary topics in an accessible fashion including applications in therapeutics, peptide hormones, amyloid structures, self-assembled structures, hydrogels, and peptide conjugates including lipopeptides Presented at an introductory level for the benefit of students and researchers who are new to the subject Introduction to Peptide Science is an ideal text for undergraduate students of chemistry, biochemistry, and other related biological subjects, and will be a valuable resource for postgraduate students and researchers involved in peptide science and its applications.

This book represents proceedings of the 19th American Peptide Symposium. It highlights many of the recent developments in peptide science, with a particular emphasis on how these advances are being applied to basic problems in biology and medicine. Specific topics covered include novel synthetic strategies, peptides in biological signaling, post-translational modifications of peptides and proteins, and peptide quaternary structure in material science and disease.

This volume covers an array of techniques available for studying peptide-protein docking and design. The book is divided into four sections: peptide binding site prediction; peptide-protein docking; prediction and design of peptide binding specificity; and the design of inhibitory peptides. The chapters in Modeling Peptide-Protein Interactions: Methods and Protocols cover topics such as the usage of ACCLUSTER and PeptiMap for peptide binding site prediction; AnchorDock and ATTRACT for blind, flexible docking of peptides to proteins; flexible peptide docking using HADDOCK and FlexPepDock; identifying loop-mediated protein-protein interactions using LoopFinder; and protein-peptide interaction design using PinaColada. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary details for successful application of the different approaches and step-by-step, readily reproducible protocols, as well as tips on troubleshooting and avoiding known pitfalls. Cutting-edge and thorough, Modeling Peptide-Protein Interactions: Methods and Protocols provides a diverse and unified overview of this rapidly advancing field of major interest and applicability.

Peptides serve as effective drugs in the clinic today. However the inherent drawbacks of peptide structures can limit their efficacy as drugs. To overcome this researchers are developing new methods to create ‘tailor-made’ peptides and proteins with improved pharmacological properties. Design of Peptides and Proteins provides an overview of the experimental and computational methods for peptide and protein design, with an emphasis on specific applications for therapeutics and biomedical research. Topics covered include: Computer modeling of peptides and proteins Peptidomimetics Design and synthesis of cyclic peptides Carbohydrates in peptide and protein design De novo design of peptides and proteins Medical development applications An extended case study – the design of insulin variants Design of Peptides and Proteins presents the state-of-the-art of this exciting approach for therapeutics, with contributions from international experts. It is an essential resource for academic and industrial scientists in the fields of peptide and protein drug design, biomedicine, biochemistry, biophysics, molecular modelling, synthetic organic chemistry and medicinal/pharmaceutical chemistry.