Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechani

ISBN-13: 9783319958422 / Angielski / Twarda / 2019 / 851 str.

Jozef Adam Liwo

Opis

With chapters contributed by leading scientists from 20 research groups worldwide, this volume provides an overview of modern computer-based techniques to compute the structure, properties, and dynamics of biomolecules and biomolecular processes.

Spis treści

Molecular simulations: methodology.- Molecular simulations: applications.- Use of structural database or experimental information in modeling protein structure and dynamics.- Applications of molecular quantum mechanics.

Blurb

This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.