“Computational Tools for Chemical Biology”
19 Oct 2018
Dr. Sonsoles Martín-Santamaría has edited the book “Computational Tools for Chemical Biology”

Dr. Sonsoles Martín-Santamaría, researcher at the Centro de Investigaciones Biológicas, has edited the book “Computational Tools for Chemical Biology”, which has been published by The Royal Society of Chemistry.

In the last decades, the development of efficient computational tools has allowed researchers to tackle biological problems, being able to predict, analyze and monitor, at an atomic level, molecular recognition processes. The book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new pathways of investigation.

Internationally renowned leaders in the field introduce state-of-the-art concepts along the book and discuss the impact of technological advances in computer hardware and software in explaining and predicting phenomena involving biomolecules, from small molecules to macromolecular systems. Important topics which cover from the understanding of biomolecules to the modification of their functions are addressed, as well as examples of the application of tools in drug discovery, glycobiology, protein design and molecular recognition. Not only are the cutting-the-edge methods addressed, but also their limitations and possible future development.

This book will be a valuable resource for anyone wishing to learn how computational chemistry and molecular modelling can provide information not easily accessible through other experimental methods. It will be of interest to postgraduates and researchers in the biological and chemical sciences, medicinal and pharmaceutical chemistry, and theoretical chemistry.

For more information regarding the book and its contents, check here.


Computational Tools for Chemical Biology. Editor: Sonsoles Martín-Santamaría. The Royal Society of Chemistry (2018). http://dx.doi.org/10.1039/9781788010139