Efficient Conformational Analysis Of Small Molecules

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Efficient Conformational Analysis Of Small Molecules

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Author : Ken David Yamaguchi
language : en
Publisher:
Release Date : 2001

Efficient Conformational Analysis Of Small Molecules written by Ken David Yamaguchi and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with categories.

Conformational Analysis Of Small Ring Molecules Using Molecular Mechanics Band Contour Simulation And Vibrational Spectroscopy

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Author : Rebecca Lee Rosas
language : en
Publisher:
Release Date : 1990

Conformational Analysis Of Small Ring Molecules Using Molecular Mechanics Band Contour Simulation And Vibrational Spectroscopy written by Rebecca Lee Rosas and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Conformational analysis categories.

Strategies For Selecting Computational Protocols In Support Of Small Molecule Structural Analysis By Ion Mobility Mass Spectrometry

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Author : Sarah Markley Stow
language : en
Publisher:
Release Date : 2015

Strategies For Selecting Computational Protocols In Support Of Small Molecule Structural Analysis By Ion Mobility Mass Spectrometry written by Sarah Markley Stow and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Electronic dissertations categories.

Small Molecule Protein Interactions

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Author : Herbert Waldmann
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Small Molecule Protein Interactions written by Herbert Waldmann 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 2013-03-09 with Medical categories.

Based on the international workshop on 'Small Molecule - Protein Interactions' held in Berlin, April 24-26, 2002, researchers from industry and academic laboratories describe novel and efficient ways selecting promising new drug targets and developing small molecule inhibitors against them. The structure of the book corresponds to the different aspects of the drug discovery process. All chapters are written by leading experts in the field, who present and discuss the most recent state-of-the-art tools and techniques for the development of novel drugs. The value of the book lies in surveying and summarizing the approaches taken by different companies and institutions giving the reader a balanced view on the use of the latest techniques on the one hand and experience-based assistance in selecting appropriate tools for their own work on the other hand.

Efficient Methods For The Generation Of Bioactive Conformers Of Small Molecules

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Author : Ole Kayser
language : en
Publisher:
Release Date : 2007

Efficient Methods For The Generation Of Bioactive Conformers Of Small Molecules written by Ole Kayser 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.

Structure Correlation

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Author : Hans-Beat Bürgi
language : de
Publisher: John Wiley & Sons
Release Date : 2008-07-11

Structure Correlation written by Hans-Beat Bürgi 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 2008-07-11 with Science categories.

This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the 'right' question is as important as is the intelligent use of crystallographic databases. Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as * Bond strength relations in soldis * Crystal structure prediction * Reaction pathways of organic molecules * Ligand/receptor interactions and enzyme mechanisms This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.

Modern Conformational Analysis

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Author : Helena Dodziuk
language : en
Publisher: Analysis and Control Methods f
Release Date : 1995

Modern Conformational Analysis written by Helena Dodziuk and has been published by Analysis and Control Methods f this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.

This text describes the importance of molecular organization in organic chemical and biological systems, the quantum foundations of molecular spatial structure, molecular symmetry, chirality and physical methods for studying molecular geometry.

Experimental And Theoretical Conformational Analysis

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Author : Kyle Thomas Greenway
language : en
Publisher:
Release Date : 2013

Experimental And Theoretical Conformational Analysis written by Kyle Thomas Greenway and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Conformational analysis categories.

Molecular conformation plays an important role in many aspects of chemistry and at all scales. Studying conformation dynamically typically requires considerable interplay between theoretical and experimental approaches. This thesis presents two such studies. The first examines a fundamental stereoelectronic effect in a series of 1,3- diheterocyclohexane systems, which serve as efficient probes of orbital interactions at the atomic scale. The results of spectroscopy and ab initio computational studies of these compounds reveal the nature of the conformational deuterium isotope effect and its underlying origins in terms of hyperconjugation. The second study is of a vastly different scale, examining the dynamic conformations of influenza neuraminidases in complex with a new class of inhibitors, which are potential lead compounds for novel pharmaceuticals. This work employs molecular dynamics simulations in conjunction with an improved analysis technique. The results reveal the highly dynamic nature of this new class of inhibitors and the implications for rational drug design.

The Conformational Analysis Of Small Flexible Molecules Using Nmr Of Liquid Crytalline Solutions

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Author : Elizabeth Kate Foord
language : en
Publisher:
Release Date : 1996

The Conformational Analysis Of Small Flexible Molecules Using Nmr Of Liquid Crytalline Solutions written by Elizabeth Kate Foord and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with categories.

Conformational Analysis Of Some Small Non Rigid Molecules

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Author : Michael Brian Kelly
language : en
Publisher:
Release Date : 1989

Conformational Analysis Of Some Small Non Rigid Molecules written by Michael Brian Kelly and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Molecular structure categories.