Frontiers in Computational Chemistry

Frontiers in Computational Chemistry

Volume: 5

Editor(s): Zaheer Ul-Haq and Angela K. Wilson

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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

Pp. i-ii (2)

Zaheer Ul-Haq and Angela K. Wilson



List of Contributors  promotion: free to download

Pp. iii

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Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases

Pp. 1-62 (62)

Amit Lochab, Rakhi Thareja, Sangeeta D. Gadre and Reena Saxena


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Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases

Pp. 63-110 (48)

Igor José dos Santos Nascimento, Thiago Mendonça de Aquino, Paulo Fernando da Silva Santos-Júnior, João Xavier de Araújo-Júnior and Edeildo Ferreira da Silva-Júnior


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Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target

Pp. 149-173 (25)

J. César Cruz, Ponciano García-Gutierrez, Rafael A. Zubillaga, Rubicelia Vargas and Jorge Garza


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Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry

Pp. 174-227 (54)

Luis R. Domingo and Nivedita Acharjee


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Subject Index  promotion: free to download

Pp. 252-260 (9)

Zaheer Ul-Haq and Angela K. Wilson