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!
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!
Зміст
Generation of 3 D coordinatesComputational tools for geometry optimizations
Conformational analysis
Determination of molecular interaction potentials
Pharmacophore identification
The use of data bases
Introduction to protein modeling
Knowledge-based protein modeling
Optimization procedures – model refinement – molecular dynamics
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Мова Англійська ● Формат PDF ● Сторінки 194 ● ISBN 9783527614769 ● Розмір файлу 112.5 MB ● Видавець Wiley-VCH ● Опубліковано 2008 ● Видання 1 ● Завантажувані 24 місяців ● Валюта EUR ● Посвідчення особи 2440892 ● Захист від копіювання Adobe DRM
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