Frontiers in Computational Chemistry: Volume 1

Publisher:Bentham Science

By: Zaheer-ul Haq and J. D Madura

Paid access

|Feb 2025

E-Book €159.99Institutions €639.95

Description

Computational Chemistry is a very diverse field spanning from the development and application of linear free energy relationships (QSAR QSPR) to electronic structure calculations molecular dynamics simulations and to solving coupled differential equations (e.g. drug metabolism). Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design drug discovery and development lead generation lead optimization database management computer and molecular graphics and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity.
The first volume this eBook series brings together eight different articles detailing the application of computational methods towards drug design.

Authors

Metrics

PDF ISBN: 978-1-60805-864-8

Publisher: Bentham Science

Publication date: 2025

Language: English

Pages: 380

Related subjects:

Chemistry,

Computational chemistry and molecular modeling

Frontiers in Computational Chemistry: Volume 1

People also read

Publications carousel

Frontiers in Computational Chemistry: Volume 8

Quantum Chemistry and Computing for the Curious

Computational Physics

Recent Advancements in Computational Intelligence: Concepts, Methodologies and Applications (Part 2)

Recent Advancements in Computational Intelligence: Concepts, Methodologies and Applications (Part 1)

Advances in Physicochemical Properties of Biopolymers (Part 1)

Quantum Mechanics I

Numerical Methods Fundamentals

Scientific Computing with Python

Paradigm

My account