Frontiers in Computational Chemistry: Volume 1

Frontiers in Computational Chemistry: Volume 1

Author: Zaheer Ul-Haq

Publisher: Elsevier

ISBN: 9781608058648

Category: Science

Page: 362

View: 428

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Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes 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. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics, with particular focus on the integration of computational methods with experimental data
Frontiers in Computational Chemistry
Language: en
Pages:
Authors: Zaheer-Ul-Haq Qasmi, Jeff Madura
Categories: Electronic book
Type: BOOK - Published: 2015 - Publisher:

Annotation 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
Frontiers in Computational Chemistry: Volume 1
Language: en
Pages: 362
Authors: Zaheer Ul-Haq, Jeffry D. Madura
Categories: Science
Type: BOOK - Published: 2015-12-14 - Publisher: Elsevier

Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development,
Frontiers in Chemistry: Editor's Pick 2022
Language: en
Pages: 377
Authors: Frontiers in Chemistry Editorial Office
Categories: Science
Type: BOOK - Published: 2022-09-06 - Publisher: Frontiers Media SA

We are pleased to introduce the 2022 Frontiers in Chemistry: Editor’s Pick collection, showcasing articles stimulating interest in the field, carefully selected in collaboration with our Field Chief Editor, Prof. Steven Suib, of University of Connecticut. With this ebook we aim to highlight and disseminate important findings across the domains
Frontiers in Chemistry: Rising Stars
Language: en
Pages:
Authors: Steve Suib, Huangxian Ju, Serge Cosnier, Bunsho Ohtani, John D. Wade, Gil Garnier, Nosang Vincent Myung, Luís D. Carlos, Michael Kassiou, Fan Zhang, Iwao Ojima, Pellegrino Musto, Tony D. James, Thomas S. Hofer, Sam P. De Visser
Categories: Science
Type: BOOK - Published: 2020-04-17 - Publisher: Frontiers Media SA

The Frontiers in Chemistry Editorial Office team are delighted to present the inaugural “Frontiers in Chemistry: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s
Advances in Density Functional Theory and Beyond for Computational Chemistry
Language: en
Pages:
Authors: Wei Hu, Mohan Chen
Categories: Science
Type: BOOK - Published: 2021-09-13 - Publisher: Frontiers Media SA

Books about Advances in Density Functional Theory and Beyond for Computational Chemistry