Protein-protein Recognition
Protein-protein Recognition

Author: Colin Kleanthous

Publisher: Frontiers in Molecular Biology

Published: 2000

Total Pages: 370

ISBN-13: 9780199637607

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The purpose of Protein-Protein Recognition is to bring together concepts and systems pertaining to protein-protein interactions in a single unifying volume. In the light of the information from the genome sequencing projects and the increase in structural information it is an opportune time totry to make generalizations about how and why proteins form complexes with each other. The emphasis of the book is on heteromeric complexes (complexes in which each of the components can exist in an unbound state) and will use well-studied model systems to explain the processes of formingcomplexes. After an introductory section on the kinetics, thermodynamics, analysis, and classification of protein-protein interactions, weak, intermediate, and high affinity complexes are dealt with in turn. Weak affinity complexes are represented by electron transfer proteins and integrincomplexes. Anti-lysozyme antibodies, the MHC proteins and their interactions with T-cell receptors, and the protein interactions of eukaryotic signal transduction are the systems used to explain complexes with intermediate affinities. Finally, tight binding complexes are represented by theinteraction of protein inhibitors with serine proteases and by nuclease inhibitor complexes. Throughout the chapters common themes are the technologies which have had the greatest impact, how specificity is determined, how complexes are stabilized, and medical and industrial applications.

Analysis and Prediction of Side-chain Flexibility in Protein-protein Recognition
Analysis and Prediction of Side-chain Flexibility in Protein-protein Recognition

Author: Kevin Wiehe

Publisher:

Published: 2008

Total Pages: 396

ISBN-13:

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Abstract: Protein-protein interaction is an essential mechanism in biological systems. It is fundamental to such diverse processes as the immunological response, signaling cascades and the function of enzymes. Understanding how proteins recognize and associate with each other has been a goal of biological research for decades. Currently, computational modeling of protein-protein interactions has become a common tool in the attempt to understand molecular recognition. Specifically, protein-protein docking algorithms which seek to predict the complexed protein structure from its unbound components have advanced rapidly in recent years. Most of the progress in protein-docking algorithms has come from the employment of a rigid-body approximation of the unbound proteins in order to reduce the complexity of the problem. Our own lab has demonstrated consistent success with such an approach utilizing our docking algorithm, ZDOCK, in the Critical Assessment of Protein Interactions (CAPRI), an international blind docking test. Recently, docking algorithms have begun to incorporate flexible proteins by modeling side-chain conformational change. Current attempts to predict side-chain rearrangement upon complexation do so using a brute-force methodology in which all interface residues are searched. Such an approach is computationally intensive and may be unnecessarily inaccurate because of the blind nature of the search. In order to address these flaws, we have created and analyzed a protein-protein docking benchmark dataset to discover the characteristics of side-chains that can best estimate the likelihood of a residue to exhibit conformational change. Our analysis shows that the majority of sidechains in the interface of protein complexes do not change position between the unbound and bound conformations. Additionally, the frequency of side-chain conformational change in interface residues is only slightly higher than other protein surface residues. Because of this small difference and the usually limited knowledge of the location of the interface prior to docking, we developed a support vector machine (SVM) approach that allows us to apply a probability of flexibility for all surface residues. Here we describe the accuracy of this predictive method and its potential for application to protein-protein docking.

Protein-protein Complexes
Protein-protein Complexes

Author: Martin Zacharias

Publisher: World Scientific

Published: 2010

Total Pages: 401

ISBN-13: 184816338X

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Given the immense progress achieved in elucidating protein-protein complex structures and in the field of protein interaction modeling, there is great demand for a book that gives interested researchers/students a comprehensive overview of the field. This book does just that. It focuses on what can be learned about protein-protein interactions from the analysis of protein-protein complex structures and interfaces. What are the driving forces for protein-protein association? How can we extract the mechanism of specific recognition from studying protein-protein interfaces? How can this knowledge be used to predict and design protein-protein interactions (interaction regions and complex structures)? What methods are currently employed to design protein-protein interactions, and how can we influence protein-protein interactions by mutagenesis and small-molecule drugs or peptide mimetics?The book consists of about 15 review chapters, written by experts, on the characterization of protein-protein interfaces, structure determination of protein complexes (by NMR and X-ray), theory of protein-protein binding, dynamics of protein interfaces, bioinformatics methods to predict interaction regions, and prediction of protein-protein complex structures (docking and homology modeling of complexes, etc.) and design of protein-protein interactions. It serves as a bridge between studying/analyzing protein-protein complex structures (interfaces), predicting interactions, and influencing/designing interactions.

Protein Interactions: Computational Methods, Analysis And Applications
Protein Interactions: Computational Methods, Analysis And Applications

Author: M Michael Gromiha

Publisher: World Scientific

Published: 2020-03-05

Total Pages: 424

ISBN-13: 9811211884

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This book is indexed in Chemical Abstracts ServiceThe interactions of proteins with other molecules are important in many cellular activities. Investigations have been carried out to understand the recognition mechanism, identify the binding sites, analyze the the binding affinity of complexes, and study the influence of mutations on diseases. Protein interactions are also crucial in structure-based drug design.This book covers computational analysis of protein-protein, protein-nucleic acid and protein-ligand interactions and their applications. It provides up-to-date information and the latest developments from experts in the field, using illustrations to explain the key concepts and applications. This volume can serve as a single source on comparative studies of proteins interacting with proteins/DNAs/RNAs/carbohydrates and small molecules.

Protein Structure Prediction
Protein Structure Prediction

Author: David Webster

Publisher: Springer Science & Business Media

Published: 2008-02-03

Total Pages: 425

ISBN-13: 1592593682

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The number of protein sequences grows each year, yet the number of structures deposited in the Protein Data Bank remains relatively small. The importance of protein structure prediction cannot be overemphasized, and this volume is a timely addition to the literature in this field. Protein Structure Prediction: Methods and Protocols is a departure from the normal Methods in Molecular Biology series format. By its very nature, protein structure prediction demands that there be a greater mix of theoretical and practical aspects than is normally seen in this series. This book is aimed at both the novice and the experienced researcher who wish for detailed inf- mation in the field of protein structure prediction; a major intention here is to include important information that is needed in the day-to-day work of a research scientist, important information that is not always decipherable in scientific literature. Protein Structure Prediction: Methods and Protocols covers the topic of protein structure prediction in an eclectic fashion, detailing aspects of pred- tion that range from sequence analysis (a starting point for many algorithms) to secondary and tertiary methods, on into the prediction of docked complexes (an essential point in order to fully understand biological function). As this volume progresses, the authors contribute their expert knowledge of protein structure prediction to many disciplines, such as the identification of motifs and domains, the comparative modeling of proteins, and ab initio approaches to protein loop, side chain, and protein prediction.

Prediction of Protein Structures, Functions, and Interactions
Prediction of Protein Structures, Functions, and Interactions

Author: Janusz M. Bujnicki

Publisher: John Wiley & Sons

Published: 2008-12-23

Total Pages: 302

ISBN-13: 9780470741900

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The growing flood of new experimental data generated by genome sequencing has provided an impetus for the development of automated methods for predicting the functions of proteins that have been deduced by sequence analysis and lack experimental characterization. Prediction of Protein Structures, Functions and Interactions presents a comprehensive overview of methods for prediction of protein structure or function, with the emphasis on their availability and possibilities for their combined use. Methods of modeling of individual proteins, prediction of their interactions, and docking of complexes are put in the context of predicting gene ontology (biological process, molecular function, and cellular component) and discussed in the light of their contribution to the emerging field of systems biology. Topics covered include: first steps of protein sequence analysis and structure prediction automated prediction of protein function from sequence template-based prediction of three-dimensional protein structures: fold-recognition and comparative modelling template-free prediction of three-dimensional protein structures quality assessment of protein models prediction of molecular interactions: from small ligands to large protein complexes macromolecular docking integrating prediction of structure, function, and interactions Prediction of Protein Structures, Functions and Interactions focuses on the methods that have performed well in CASPs, and which are constantly developed and maintained, and are freely available to academic researchers either as web servers or programs for local installation. It is an essential guide to the newest, best methods for prediction of protein structure and functions, for researchers and advanced students working in structural bioinformatics, protein chemistry, structural biology and drug discovery.

Computational Protein-Protein Interactions
Computational Protein-Protein Interactions

Author: Ruth Nussinov

Publisher: CRC Press

Published: 2009-06-26

Total Pages: 346

ISBN-13: 142007007X

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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