Virtual Screening. Principles, Challenges, and Practical GuidelinesPDF

Авторы:Hugo Kubinyi, Christoph Sotriffer, Gerd Folkers, Raimund Mannhold
0
Отзывы
Читайте только на ЛитРес!
Как читать книгу после покупки
  • Чтение только в Литрес «Читай!»
Описание книги

Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to «real» screening that requires cost- and labor-intensive laboratory testing with previously synthesized drug compounds. Unique in its focus on the end user, this is a real «how to» book that does not presuppose prior experience in virtual screening or a background in computational chemistry. It is both a desktop reference and practical guide to virtual screening applications in drug discovery, offering a comprehensive and up-to-date overview. Clearly divided into four major sections, the first provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of this technique. The third and fourth, practical parts contain practical guidelines and several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies. Throughout the text, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods.

Подробная информация
  • Возрастное ограничение: 0+
  • Дата выхода на ЛитРес: 28 сентября 2018
  • Объем: 551 стр.
  • ISBN: 9783527633333
  • Общий размер: 7 MB
  • Общее кол-во страниц: 551
  • Размер страницы: 170 x 240 мм
  • Правообладатель: John Wiley & Sons Limited
«Virtual Screening. Principles, Challenges, and Practical Guidelines» — читать онлайн бесплатно фрагмент книги. Оставляйте комментарии и отзывы, голосуйте за понравившиеся.
Другие книги автора:
Transporters as Drug Carriers
Hugo Kubinyi
18 953,34
Protein Kinases as Drug Targets
Gerhard Friedrich Müller
14 137,51
Развернуть
Оставить отзыв
Напишите отзыв
Получите 100 бонусных рублей
на ваш счет в ЛитРес.
Напишите содержательный отзыв
длиной от 120 знаков
Купите 3 книги одновременно и выберите четвёртую в подарок!

Чтобы воспользоваться акцией, добавьте нужные книги в корзину. Сделать это можно на странице каждой книги, либо в общем списке:

  1. Нажмите на многоточие
    рядом с книгой
  2. Выберите пункт
    «Добавить в корзину»