Frontiers in Computational Chemistry

Volume: 3

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

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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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Pp. i-ii (2)

Zaheer Ul Haq and Jeffry D. Madura



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In Silico Approaches for Drug Discovery and Development

Pp. 3-74 (72)

Thomas Leonard Joseph, Vigneshwaran Namasivayam, Vasanthanathan Poongavanam and Srinivasaraghavan Kannan


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Computational Chemistry Assisted Design and Screening of Ligand-Solvent Systems for Metal Ion Separation

Pp. 75-184 (110)

Sk. Musharaf Ali, Anil Boda, Ashish Kumar Singha Deb, Pooja Sahu and Kalsanka Trivikram Shenoy


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Elucidating Allosteric Communications in Proteins via Computational Methods

Pp. 260-309 (50)

Burak Alakent and Z. Nevin Gerek Ince


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Information-Theoretic Representation of the Chemical Space of Many Electron Systems

Pp. 310-353 (44)

R.O. Esquivel, S. López-Rosa, M. Molina-Espíritu, C. Soriano-Correa, J.C. Angulo and J.S. Dehesa


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Zaheer Ul Haq and Jeffry D. Madura