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Frontiers in computational chemistry...

Ul-Haq, Zaheer.

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Frontiers in computational chemistry : = computer applications for drug design and biomolecular systems.. volume 2 /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Frontiers in computational chemistry :/ edited by Zaheer Ul-Hag & Jeffry D. Madura.
其他題名:	computer applications for drug design and biomolecular systems.
其他作者:	Ul-Haq, Zaheer.
出版者:	Amsterdam ;Elsevier, : c2015.,
面頁冊數:	xi, 431 :ill. (some col.), charts (some col.) ;24 cm.
標題:	Chemistry - Data processing. -
ISBN:	9781608059799

Frontiers in computational chemistry : = computer applications for drug design and biomolecular systems.. volume 2 /
Frontiers in computational chemistry :computer applications for drug design and biomolecular systems.volume 2 /edited by Zaheer Ul-Hag & Jeffry D. Madura. - Amsterdam ;Elsevier,c2015. - xi, 431 :ill. (some col.), charts (some col.) ;24 cm.

Includes bibliographical references and index.

"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 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more."--Provided by publisher.

ISBN: 9781608059799US165.00Subjects--Topical Terms:

588752
Chemistry
--Data processing.

LC Class. No.: QD39.3.E46 / F76 2015

Dewey Class. No.: 542.85

Frontiers in computational chemistry : = computer applications for drug design and biomolecular systems.. volume 2 /
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245 0 0 $a Frontiers in computational chemistry : $b computer applications for drug design and biomolecular systems. $n volume 2 / $c edited by Zaheer Ul-Hag & Jeffry D. Madura.
260 $a Amsterdam ; $a Boston : $b Elsevier, $c c2015.
300 $a xi, 431 : $b ill. (some col.), charts (some col.) ; $c 24 cm.
504 $a Includes bibliographical references and index.
520 $a "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 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more."--Provided by publisher.
650 0 $a Chemistry $x Data processing. $3 588752
650 0 $a Chemistry $x Computer simulation. $3 588753
650 0 $a Drugs $x Design $x Computer simulation. $3 595432
700 1 $a Ul-Haq, Zaheer. $3 3500126
700 1 $a Madura, Jeffry. $3 3500127