Special Issue Modern Tools For Macromolecular Simulation And Modeling
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Author |
: Charles L. Brooks III |
Publisher |
: |
Total Pages |
: |
Release |
: 2005 |
ISBN-10 |
: OCLC:179939560 |
ISBN-13 |
: |
Rating |
: 4/5 (60 Downloads) |
Synopsis Special Issue: Modern Tools for Macromolecular Simulation and Modeling by : Charles L. Brooks III
Author |
: |
Publisher |
: |
Total Pages |
: 138 |
Release |
: 2005 |
ISBN-10 |
: OCLC:437157187 |
ISBN-13 |
: |
Rating |
: 4/5 (87 Downloads) |
Synopsis Modern Tools for Macromolecular Simulation and Modeling by :
Author |
: Charles L. Brooks |
Publisher |
: |
Total Pages |
: 1802 |
Release |
: 2005 |
ISBN-10 |
: OCLC:314663930 |
ISBN-13 |
: |
Rating |
: 4/5 (30 Downloads) |
Synopsis Modern tools for macromolecular simulation and modeling by : Charles L. Brooks
Author |
: Charles L. Brooks III |
Publisher |
: |
Total Pages |
: 1802 |
Release |
: 2005 |
ISBN-10 |
: OCLC:179939560 |
ISBN-13 |
: |
Rating |
: 4/5 (60 Downloads) |
Synopsis Special Issue: Modern Tools for Macromolecular Simulation and Modeling by : Charles L. Brooks III
Author |
: Alex M. Dopico |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 1265 |
Release |
: 2007-08-30 |
ISBN-10 |
: 9781588296627 |
ISBN-13 |
: 1588296628 |
Rating |
: 4/5 (27 Downloads) |
Synopsis Methods in Membrane Lipids by : Alex M. Dopico
This book presents a compendium of methodologies for the study of membrane lipids, varying from traditional lab bench experimentation to computer simulation and theoretical models. The volume provides a comprehensive set of techniques for studying membrane lipids with a strong biophysical emphasis. It compares the various available techniques including the pros and cons as seen by the experts.
Author |
: |
Publisher |
: |
Total Pages |
: 103 |
Release |
: 1994 |
ISBN-10 |
: OCLC:35367845 |
ISBN-13 |
: |
Rating |
: 4/5 (45 Downloads) |
Synopsis Computer Simulation of Macromolecular Systems by :
Author |
: Rebecca Wade |
Publisher |
: MDPI |
Total Pages |
: 220 |
Release |
: 2019-03-26 |
ISBN-10 |
: 9783038976141 |
ISBN-13 |
: 3038976148 |
Rating |
: 4/5 (41 Downloads) |
Synopsis Molecular Modeling in Drug Design by : Rebecca Wade
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 |
: B. Leimkuhler |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 390 |
Release |
: 2006-02-10 |
ISBN-10 |
: 3540255427 |
ISBN-13 |
: 9783540255420 |
Rating |
: 4/5 (27 Downloads) |
Synopsis New Algorithms for Macromolecular Simulation by : B. Leimkuhler
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
Author |
: Tamar Schlick |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 669 |
Release |
: 2013-04-18 |
ISBN-10 |
: 9780387224640 |
ISBN-13 |
: 0387224645 |
Rating |
: 4/5 (40 Downloads) |
Synopsis Molecular Modeling and Simulation by : Tamar Schlick
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author |
: Purushottam D. Gujrati |
Publisher |
: John Wiley & Sons |
Total Pages |
: 564 |
Release |
: 2010-03-30 |
ISBN-10 |
: 3527630260 |
ISBN-13 |
: 9783527630264 |
Rating |
: 4/5 (60 Downloads) |
Synopsis Modeling and Simulation in Polymers by : Purushottam D. Gujrati
Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.