Computer Simulations Of Protein Structures And Interactions
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Computer Simulations Of Protein Structures And Interactions
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Author : Serafin Fraga
language : en
Publisher: Springer
Release Date : 1995-08-18
Computer Simulations Of Protein Structures And Interactions written by Serafin Fraga and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-08-18 with Science categories.
Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs. This work develops in a comprehensive way the theoretical formulation for the methods used in computer-assisted modeling and predictions, starting from the basic concepts and proceeding to the more sophisticated methods, such as Monte Carlo and molecular dynamics. An evaluation of the approximations inherent to the simulations will allow the reader to obtain a perspective of the possible deficiencies and difficulties and approach the task with realistic expectations. Examples from the authors laboratories, as well as from the literature provide useful information.
Computer Simulations Of Protein Structures And Interactions
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Author : Serafin Fraga
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Computer Simulations Of Protein Structures And Interactions written by Serafin Fraga 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 2013-04-17 with Science categories.
Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs. This work develops in a comprehensive way the theoretical formulation for the methods used in computer-assisted modeling and predictions, starting from the basic concepts and proceeding to the more sophisticated methods, such as Monte Carlo and molecular dynamics. An evaluation of the approximations inherent to the simulations will allow the reader to obtain a perspective of the possible deficiencies and difficulties and approach the task with realistic expectations. Examples from the authors laboratories, as well as from the literature provide useful information.
Computer Simulation Of Biomolecular Systems
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Author : W.F. van Gunsteren
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-27
Computer Simulation Of Biomolecular Systems written by W.F. van Gunsteren 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 2013-11-27 with Technology & Engineering categories.
The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations, although there are some chapters that present the results obtained for specific systems of biological interest. The focus of this volume has changed somewhat since there are several chapters devoted to structure-based ligand design, which had only a single chapter in the second volume. It seems useful to set the stage for this volume by quoting from my preface to Volume 2 [2]. "The long-range 'goal of molecular approaches to biology is to describe living systems in terms of chemistry and physics. Over the last fifty years great progress has been made in applying the equations representing the underlying physical laws to chemical problems involv ing the structures and reactions of small molecules. Corresponding studies of mesoscopic systems have been undertaken much more recently. Molecular dynamics simulations, which are the primary focus of this volume, represent the most important theoretical approach to macromolecules of biological interest." ...
Statistical Mechanics Protein Structure And Protein Substrate Interactions
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Author : Sebastian Doniach
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-22
Statistical Mechanics Protein Structure And Protein Substrate Interactions written by Sebastian Doniach 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 2013-11-22 with Science categories.
A number of factors have come together in the last couple of decades to define the emerging interdisciplinary field of structural molecular biology. First, there has been the considerable growth in our ability to obtain atomic-resolution structural data for biological molecules in general, and proteins in particular. This is a result of advances in technique, both in x-ray crystallography, driven by the development of electronic detectors and of synchrotron radiation x-ray sources, and by the development ofNMR techniques which allow for inference of a three-dimensional structure of a protein in solution. Second, there has been the enormous development of techniques in DNA engineering which makes it possible to isolate and clone specific molecules of interest in sufficient quantities to enable structural measurements. In addition, the ability to mutate a given amino acid sequence at will has led to a new branch of biochemistry in which quantitative measurements can be made assessing the influence of a given amino acid on the function of a biological molecule. A third factor, resulting from the exponential increase in computing power available to researchers, has been the emergence of a growing body of people who can take the structural data and use it to build atomic-scale models of biomolecules in order to try and simulate their motions in an aqueous environment, thus helping to provide answers to one of the most basic questions of molecular biology: the relation of structure to function.
Prediction Of Protein Structures Functions And Interactions
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Author : Janusz M. Bujnicki
language : en
Publisher: John Wiley & Sons
Release Date : 2008-12-23
Prediction Of Protein Structures Functions And Interactions written by Janusz M. Bujnicki 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 2008-12-23 with Science categories.
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.
Biomedical Index To Phs Supported Research Pt A Subject Access A H
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Author :
language : en
Publisher:
Release Date : 1994
Biomedical Index To Phs Supported Research Pt A Subject Access A H written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Medicine categories.
Biomedical Index To Phs Supported Research
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Author :
language : en
Publisher:
Release Date : 1991
Biomedical Index To Phs Supported Research written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Medicine categories.
The Guide To Computer Simulations And Games
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Author : K. Becker
language : en
Publisher: John Wiley & Sons
Release Date : 2011-11-30
The Guide To Computer Simulations And Games written by K. Becker 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 2011-11-30 with Education categories.
The first computer simulation book for anyone designing or building a game Answering the growing demand for a book catered for those who design, develop, or use simulations and games this book teaches you exactly what you need to know in order to understand the simulations you build or use all without having to earn another degree. Organized into three parts, this informative book first defines computer simulations and describes how they are different from live-action and paper-based simulations. The second section builds upon the previous, with coverage of the technical details of simulations, a detailed description of how models are built, and an explanation of how those models are translated into simulations. Finally, the last section develops four examples that walk you through the process from model to finished and functional simulation, all of which are created using freely available software and all of which can be downloaded. Targets anyone interested in learning about the inner workings of a simulation or game, but may not necessarily be a programmer or scientist Offers technical details on what simulations are and how they are built without overwhelming you with intricate jargon Breaks down simulation vs. modeling and traditional vs. computer simulations Examines verification and validation and discusses simulation tools Whether you need to learn how simulations work or it's something you've always been curious about but couldn't find the right resource, look no further. The Guide to Computer Simulations and Games is the ideal book for getting a solid understanding of this fascinating subject.
Protein Protein Interactions
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Author : Krishna Mohan Poluri
language : en
Publisher: Springer Nature
Release Date : 2021-05-19
Protein Protein Interactions written by Krishna Mohan Poluri and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-19 with Science categories.
This book provides a comprehensive overview of the fundamental aspects of protein-protein interactions (PPI), including a detailed account of the energetics and thermodynamics involved in these interactions. It also discusses a number of computational and experimental approaches for the prediction of PPI interactions and reviews their principles, advantages, drawbacks, and the recent developments. Further, it offers structural and mechanistic insights into the formation of protein-protein complexes and maps different PPIs into networks to delineate various pathways that operate at the cellular level. Lastly, it describes computational protein-protein docking techniques and discusses their implications for further experimental research. Given its scope, this book is a valuable resource for students, researchers, scientists, entrepreneurs, and medical/healthcare professionals.
Prediction Of Protein Structure And The Principles Of Protein Conformation
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Author : G.D. Fasman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Prediction Of Protein Structure And The Principles Of Protein Conformation written by G.D. Fasman 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 Science categories.
The prediction of the conformation of proteins has developed from an intellectual exercise into a serious practical endeavor that has great promise to yield new stable enzymes, products of pharmacological significance, and catalysts of great potential. With the application of predic tion gaining momentum in various fields, such as enzymology and immunology, it was deemed time that a volume be published to make available a thorough evaluation of present methods, for researchers in this field to expound fully the virtues of various algorithms, to open the field to a wider audience, and to offer the scientific public an opportunity to examine carefully its successes and failures. In this manner the practitioners of the art could better evaluate the tools and the output so that their expectations and applications could be more realistic. The editor has assembled chapters by many of the main contributors to this area and simultaneously placed their programs at three national resources so that they are readily available to those who wish to apply them to their personal interests. These algorithms, written by their originators, when utilized on pes or larger computers, can instantaneously take a primary amino acid sequence and produce a two-or three-dimensional artistic image that gives satisfaction to one's esthetic sensibilities and food for thought concerning the structure and function of proteins. It is in this spirit that this volume was envisaged.