Molecular Modeling Of Proteins

Author : Andreas Kukol
Publisher : Humana Press
Page : 474 pages
File Size : 46,7 Mb
Release : 2017-04-30
Category : Science
ISBN : 1493954911

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Molecular Modeling of Proteins by Andreas Kukol Pdf

Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls. Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.

Author : Andreas Kukol
Publisher : Humana Press
Page : 0 pages
File Size : 51,7 Mb
Release : 2010-11-19
Category : Science
ISBN : 1617378127

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Molecular Modeling of Proteins by Andreas Kukol Pdf

Molecular modeling has undergone a remarkable transformation in the last 20 years. This book provides thorough introductions and a compilation of step-by-step methods applicable to problems faced by non-specialists – especially those new to the software packages used in molecular modeling. Tips on troubleshooting and avoiding common pitfalls are included in the book, along with chapters covering a wide range of subjects. Links to downloadable software are also provided.

Author : Rafael Trindade Maia,Rômulo Maciel de Moraes Filho,Magnólia De Araújo Campos
Publisher : BoD – Books on Demand
Page : 147 pages
File Size : 54,8 Mb
Release : 2021-03-10
Category : Science
ISBN : 9781839628054

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Homology Molecular Modeling by Rafael Trindade Maia,Rômulo Maciel de Moraes Filho,Magnólia De Araújo Campos Pdf

Homology modeling is an extremely useful and versatile technique that is gaining more and more space and demand in research in computational and theoretical biology. This book, “Homology Molecular Modeling - Perspectives and Applications”, brings together unpublished chapters on this technique. In this book, 7 chapters are intimately related to the theme of molecular modeling, carefully selected and edited for academic and scientific readers. It is an indispensable read for anyone interested in the areas of bioinformatics and computational biology. Divided into 4 sections, the reader will have a didactic and comprehensive view of the theme, with updated and relevant concepts on the subject. This book was organized from researchers to researchers with the aim of spreading the fascinating area of molecular modeling by homology.

Author : Hans-Dieter Höltje,Gerd Folkers
Publisher : John Wiley & Sons
Page : 206 pages
File Size : 50,7 Mb
Release : 2008-07-11
Category : Science
ISBN : 9783527614769

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Molecular Modeling by Hans-Dieter Höltje,Gerd Folkers Pdf

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

Author : Derek J. Chadwick,Kate Widdows
Publisher : John Wiley & Sons
Page : 282 pages
File Size : 55,7 Mb
Release : 2008-04-30
Category : Science
ISBN : 9780470514153

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Protein Conformation by Derek J. Chadwick,Kate Widdows Pdf

How the amino acid sequence of a protein determines its three-dimensional structure is a major problem in biology and chemistry. Leading experts in the fields of NMR spectroscopy, X-ray crystallography, protein engineering and molecular modeling offer provocative insights into current views on the protein folding problem and various aspects for future progress.

Author : Dimitrios Vlachakis
Publisher : Lulu.com
Page : 160 pages
File Size : 46,6 Mb
Release : 2007-11-01
Category : Science
ISBN : 9780615176062

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An Introduction to Molecular Modelling, from Theory to Application by Dimitrios Vlachakis Pdf

A brief introduction to the basic knowledge underlying modern molecular modelling

Author : Ivet Bahar,Robert L. Jernigan,Ken A. Dill
Publisher : Garland Science
Page : 336 pages
File Size : 45,8 Mb
Release : 2017-02-14
Category : Science
ISBN : 9781351815017

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Protein Actions: Principles and Modeling by Ivet Bahar,Robert L. Jernigan,Ken A. Dill Pdf

Protein Actions: Principles and Modeling is aimed at graduates, advanced undergraduates, and any professional who seeks an introduction to the biological, chemical, and physical properties of proteins. Broadly accessible to biophysicists and biochemists, it will be particularly useful to student and professional structural biologists and molecular biophysicists, bioinformaticians and computational biologists, biological chemists (particularly drug designers) and molecular bioengineers. The book begins by introducing the basic principles of protein structure and function. Some readers will be familiar with aspects of this, but the authors build up a more quantitative approach than their competitors. Emphasizing concepts and theory rather than experimental techniques, the book shows how proteins can be analyzed using the disciplines of elementary statistical mechanics, energetics, and kinetics. These chapters illuminate how proteins attain biologically active states and the properties of those states. The book ends with a synopsis the roles of computational biology and bioinformatics in protein science.

Author : Bruce Alberts
Publisher : Unknown
Page : 0 pages
File Size : 55,6 Mb
Release : 2002
Category : Cytology
ISBN : 0815332181

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Molecular Biology of The Cell by Bruce Alberts Pdf

Author : Om Silakari,Pankaj Kumar Singh
Publisher : Academic Press
Page : 398 pages
File Size : 55,7 Mb
Release : 2020-11-05
Category : Medical
ISBN : 9780128205471

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Concepts and Experimental Protocols of Modelling and Informatics in Drug Design by Om Silakari,Pankaj Kumar Singh Pdf

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. Presents exercises with solutions to aid readers in validating their own protocol Brings a thorough interpretation of results of each exercise to help readers compare them to their own study Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

Author : Robert J. Fletterick,Mark Zoller
Publisher : Unknown
Page : 166 pages
File Size : 55,8 Mb
Release : 1986
Category : Science
ISBN : UOM:39015010125691

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Computer Graphics and Molecular Modeling by Robert J. Fletterick,Mark Zoller Pdf

Author : Rebecca Wade,Outi Salo-Ahen
Publisher : MDPI
Page : 220 pages
File Size : 51,9 Mb
Release : 2019-03-26
Category : Science
ISBN : 9783038976141

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Molecular Modeling in Drug Design by Rebecca Wade,Outi Salo-Ahen Pdf

Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.

Author : Andrzej Kolinski
Publisher : Springer Science & Business Media
Page : 360 pages
File Size : 44,7 Mb
Release : 2010-10-13
Category : Science
ISBN : 9781441968890

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Multiscale Approaches to Protein Modeling by Andrzej Kolinski Pdf

The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.

Author : Charles E. Bugg,Steven E. Ealick
Publisher : Unknown
Page : 304 pages
File Size : 52,5 Mb
Release : 1990
Category : Crystallography
ISBN : STANFORD:36105030898352

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Crystallographic and Modeling Methods in Molecular Design by Charles E. Bugg,Steven E. Ealick Pdf

This up-to-date review of forefront approaches used in structure-based drug design and protein engineering is intended for chemists, molecular biologists, pharmacologists, crystallographers, computer modelers, and graduate students interested in drug design and protein engineering. Leaders in protein crystallography, molecular dynamics, computer graphics, and molecular modeling report on their major contributions to this rapidly evolving field. Readers can expect to obtain an overall introduction to the major approaches that are now being pursued in structure-based drug design and protein engineering.

Author : Anonim
Publisher : Academic Press
Page : 554 pages
File Size : 55,8 Mb
Release : 2020-03-05
Category : Science
ISBN : 9780128211373

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Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly by Anonim Pdf

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

Author : Christo Christov
Publisher : Academic Press
Page : 360 pages
File Size : 53,9 Mb
Release : 2011-09-23
Category : Science
ISBN : 9780123864857

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Computational Chemistry Methods in Structural Biology by Christo Christov Pdf

Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology