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Molecular Docking

ISBN: 978-953-51-5854-7

Book editor

Dimitrios Vlachakis

Agricultural University of Athens, Greece

Molecular Docking

Molecular Modelling

Drug Design

Protein-Protein Docking

Protein-Ligand Docking

About the Book

About the Book

Molecular Docking

Molecular docking has been on the forefront of computational biology for few decades now. Either by docking proteins together or small molecules to proteins, this technique has proven its value in many biomedical disciplines. However, as computational power increases exponentially, it is nowadays possible to implement more sophisticated algorithms in molecular docking. Such state of the art molecular docking pipelines utilize a multiple-layer approach, where at the ‘heart’ of the interaction high precision quantum mechanics algorithms are considered, while as we move away, more crude molecular mechanics and Newton physics are applied. These hybrid molecular docking algorithms are bound to play a pivotal role in protein-protein interactions, drug design and virtual screening of compounds in the near future. This book presents an easy to follow but comprehensive overview of all the dimensions, concerns and applications in modern molecular docking. An enjoyable journey that begins from the very basic in computational biology and moves on to address quantum chemical complications in molecular interaction, thus being an invaluable reference for both expert and novice readers in the field of molecular docking. 

Topics

Topics

The following topics illustrate the target subject areas and scope of the project.

These keywords are not definitive but can be used as the basis for the chapter content.

We accept theoretical and applied scientific papers which can be presented as original research papers and review papers. The required length of the full chapters is 14 to 20 pages.

Subject areas and keywords

Molecular Docking

Drug Design

Protein-Ligand Docking

Docking Algorithms

QM/MM Methods

Energy Minimization

Molecular Modelling

Protein-Protein Docking

Quantum Chemistry in Docking

Docking Forcefields

ONIOM Methods

Thermodynamics

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We are especially proud of our authors

Ohsumi

Yoshinori Ohsumi
2016 NOBEL WINNER

Kroto

Harold W. Kroto
1996 NOBEL WINNER

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deadlines

Important Deadlines

Full chapter (14-20 pages)

September 11, 2017

*Submission closed

Expected publication date

February 2018

Molecular Docking

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