Computational Analyses Of Protein Ligand Interactions
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Computational Analyses Of Protein Ligand Interactions
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Author :
language : en
Publisher:
Release Date : 2010
Computational Analyses Of Protein Ligand Interactions written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with categories.
Computational Analyses Of Protein Ligand Interactions
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Author : Edward Croft
language : en
Publisher:
Release Date : 1998
Computational Analyses Of Protein Ligand Interactions written by Edward Croft and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with categories.
Protein Interactions Computational Methods Analysis And Applications
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Author : M Michael Gromiha
language : en
Publisher: World Scientific
Release Date : 2020-03-05
Protein Interactions Computational Methods Analysis And Applications written by M Michael Gromiha and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-05 with Science categories.
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.
Computational Intelligence In Protein Ligand Interaction Analysis
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Author : Bing Wang
language : en
Publisher: Academic Press
Release Date : 2024-03-22
Computational Intelligence In Protein Ligand Interaction Analysis written by Bing Wang and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-22 with Science categories.
Computational Intelligence in Protein-Ligand Interaction Analysis presents computational techniques for predicting protein-ligand interactions, recognizing protein interaction sites, and identifying protein drug targets. The book emphasizes novel approaches to protein-ligand interactions, including machine learning and deep learning, presenting a state-of-the-art suite of skills for researchers. The volume represents a resource for scientists, detailing the fundamentals of computational methods, showing how to use computational algorithms to study protein interaction data, and giving scientific explanations for biological data through computational intelligence. Fourteen chapters offer a comprehensive guide to protein interaction data and computational intelligence methods for protein-ligand interactions. Presents a guide to computational techniques for protein-ligand interaction analysis Guides researchers in developing advanced computational intelligence methods for the protein-ligand problem Identifies appropriate computational tools for various problems Demonstrates the use of advanced techniques such as vector machine, neural networks, and machine learning Offers the computational, mathematical and statistical skills researchers need
Protein Ligand Interactions
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Author : Holger Gohlke
language : en
Publisher: John Wiley & Sons
Release Date : 2012-05-21
Protein Ligand Interactions written by Holger Gohlke 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 2012-05-21 with Medical categories.
Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them. With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of protein-ligand interaction modeling and analysis for both novices and experts.
Protein Ligand Interactions
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Author : G. Ulrich Nienhaus
language : en
Publisher: Humana
Release Date : 2010-11-19
Protein Ligand Interactions written by G. Ulrich Nienhaus and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-11-19 with Science categories.
A readily reproducible collection of established and emerging techniques for studying the interaction between proteins and ligands, including biochemical/bulk techniques, structure analysis, spectroscopy, single-molecule studies, and theoretical/computational tools. Among the highlights are surface plasmon resonance (SPR) and reflectometric biosensor approaches, high-throughput screening with confocal optics microscopy, single molecule fluorescence and fluorescence correlation spectroscopy (FCS), atomic force microscopy (AFM), crystallography of reaction intermediates, and time-resolved x-ray crystallography. The protocols follow the successful Methods in Molecular BiologyTM series format, each offering step-by-step laboratory instructions, an introduction outlining the principle behind the technique, lists of the necessary equipment and reagents, and tips on troubleshooting and avoiding known pitfalls.
The Computational Design Of Protein Ligand Interfaces
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Author : Andrew Morin
language : en
Publisher:
Release Date : 2011
The Computational Design Of Protein Ligand Interfaces written by Andrew Morin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Biological interfaces categories.
Computational And Structural Approaches To Drug Discovery
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Author : Robert Stroud
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Computational And Structural Approaches To Drug Discovery written by Robert Stroud and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
Computational methods impact all aspects of modern drug discovery and most notably these methods move rapidly from academic exercises to becoming drugs in clinical trials... This insightful book represents the experience and understanding of the global experts in the field and spotlights both the structural and medicinal chemistry aspects of drug design. The need to 'encode' the factors that determine adsorption, distribution, metabolism, excretion and toxicology are explored, as they remain the critical issues in this area of research. This indispensable resource provides the reader with: * A rich understanding of modern approaches to docking * A comparison and critical evaluation of state-of-the-art methods * Details on harnessing computational methods for both analysis and prediction * An insight into prediction potencies and protocols for unbiased evaluations of docking and scoring algorithms * Critical reviews of current fragment based methods with perceptive applications to kinases Addressing a wide range of uses of protein structures for drug discovery the Editors have created and essential reference for professionals in the pharmaceutical industry and moreover an indispensable core text for all graduate level courses covering molecular interactions and drug discovery.
Novel Methods In Computational Analysis And Design Of Protein Protein Interactions
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Author : Brian Alan Joughin
language : en
Publisher:
Release Date : 2007
Novel Methods In Computational Analysis And Design Of Protein Protein Interactions written by Brian Alan Joughin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with categories.
This thesis presents a number of novel computational methods for the analysis and design of protein-protein complexes, and their application to the study of the interactions of phosphopeptides with phosphopeptide-binding domain interactions. A novel protein-protein interaction type, the action-at-a-distance interaction, is described in the complex of the TEM1 P-lactamase with the 3-lactamase inhibitor protein (BLIP). New action-at-a-distance interactions were designed on the surface of BLIP and computed to enhance the affinity of that complex. A new method is described for the characterization and prediction of protein ligand-binding sites. This method was used to analyze the phosphoresidue-contacting sites of known phosphopeptide-binding domains, and to predict the sites of phosphoresidue-contact on some protein domains for which the correct site was not known. The design of a library of variant WW domains that is predicted to be enriched in domains that might have specificity for "pS/pT-Q" peptide ligands is detailed. General methods for designing libraries of degenerate oligonucleotides for expressing protein libraries as accurately as possible are given, and applied to the described WW domain variant library.
Recent Developments On Protein Ligand Interactions
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Author : Alexandre G de Brevern
language : en
Publisher: Mdpi AG
Release Date : 2022-03-21
Recent Developments On Protein Ligand Interactions written by Alexandre G de Brevern and has been published by Mdpi AG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-03-21 with Science categories.
Protein-ligand interactions play a fundamental role in most major biological functions. The number and diversity of small molecules that interact with proteins, whether naturally or not, can quickly become overwhelming. They are as essential as amino acids, nucleic acids or membrane lipids, enabling a large number of essential functions. One need only think of carbohydrates or even just ATP to be certain. They are also essential in drug discovery. With the increasing structural information of proteins and protein-ligand complexes, molecular modelling, molecular dynamics, and chemoinformatics approaches are often required for the efficient analysis of a large number of such complexes and to provide insights. Similarly, numerous computational approaches have been developed to characterize and use the knowledge of such interactions, which can lead to drug candidates. "Recent Developments on Protein-Ligand Interactions: From Structure, Function to Applications" was dedicated to the different aspect of protein-ligand analysis and/or prediction using computational approaches, as well as new developments dedicated to these tasks. It will interest both specialists and non-specialists, as the presented studies cover a very large spectra in terms of methodologies and applications. It underlined the variety of scientific area linked to these questions, i.e., chemistry, biology, physics, informatics, bioinformatics, structural bioinformatics and chemoinformatics.