Frontiers in computational chemistry. Volume 6. / Atta ur Rahman.

Format:

Book

Author/Creator:

Rahman, Atta ur, author.

Series:

Frontiers in Computational Chemistry

Language:

English

Subjects (All):

Chemistry--Study and teaching.

Chemistry.

Computational chemistry.

Physical Description:

1 online resource (310 pages)

Edition:

First edition.

Place of Publication:

Singapore : Bentham Science Publishers, [2022]

Summary:

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 sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design: 1. Computer-aided molecular design in computational chemistry 2. The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery 3. Molecular dynamics applied to discover antiviral agents 4. Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria 5. Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research 6. Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance.

Contents:

Frontiers in Computational Chemistry Volume: 6

Notes:

Includes bibliographical references.

Description based on publisher supplied metadata and other sources.

Description based on print version record.

ISBN:

9789815036848

981503684X

OCLC:

1348490465