Frontiers in Computational Chemistry

Volume: 2

Editor(s): Zaheer Ul-Haq and Jeffry D. Madura

Indexed in: Book Citation Index, Science Edition, BIOSIS Previews, EBSCO.

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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 ...
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Preface  promotion: free to download

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List of Contributors  promotion: free to download

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The Use of Dedicated Processors to Accelerate the Identification of Novel Antibacterial Peptides  Open Access Plus

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Gabriel del Rio, Miguel Arias-Estrada and Carlos Polanco González

Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage  Open Access Plus

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Density Functional Studies of Bis-alkylating Nitrogen Mustards

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Pradip Kr. Bhattacharyya, Sourab Sinha, Nabajit Sarmah and Bhabesh Chandra Deka

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From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods  Open Access Plus

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Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity

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First Principles Computational Biochemistry with deMon2k

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Recent Advances in Computational Simulations of Lipid Bilayer Based Molecular Systems

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