Application of computational techniques in pharmacy and medicine

Resource Information

The work Application of computational techniques in pharmacy and medicine represents a distinct intellectual or artistic creation found in University of Liverpool. This resource is a combination of several types including: Work, Language Material, Books.

Label

Application of computational techniques in pharmacy and medicine

Statement of responsibility

Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors

Contributor

• Kuzʹmin, Victor, (Victor E.)
• Muratov, Eugene
• Gorb, Leonid

Editor

• Kuzʹmin, Victor, (Victor E.)
• Gorb, Leonid
• Muratov, Eugene

Subject

• Cheminformatics
• Drugs -- Design | Data processing
• Pharmaceutical chemistry -- Data processing

Language

eng

Summary

The current volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions. It also covers research areas related to structures and properties of drugs (including the calculation and the design of new ones), and the development of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is emphasized. The book features computational techniques such as quantum-chemical and molecular dynamic approaches supplemented by a discussion on quantitative structure?activity relationships. The initial chapters describe the state-of-the art computational approaches for molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations. In addition, the results of the QSAR studies, which now are the most popular in predicting drugs? efficiency, are discussed. The last chapter reveals the current state of chemoinformatics and discusses new problems and experimental perspectives related to both chemical and biological characteristics of molecules

Member of

• Online access with purchase: Springer
• Challenges and advances in computational chemistry and physics, volume 17

Cataloging source

N$T

Dewey number

615.1/900285

Illustrations

illustrations

Index

index present

LC call number

RS418

LC item number

.A67 2014

Literary form

non fiction

Nature of contents

dictionaries

Series statement

Challenges and Advances in Computational Chemistry and Physics

Series volume

volume 17