Search Result "Huckel method"


Non-Nucleoside Inhibitors of NS5B Polymerase Binding to Allosteric Sites: 3DQSAR and Molecular Docking Studies

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2008 Page: 1462-1477
Author(s): Hongyu Cao, Ran Cao, Huabei Zhang, Xuefang Zheng, Dabin Gao

Synthesis, Molecular Docking and PTP1B Inhibitory Activity of Functionalized 4,5-Dihydronaphthofurans and Dibenzofurans

Journal: Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2008 Page: 18-24
Author(s): Atul Goel, Manish Dixit, Uzma Saeed, Amit Kumar, Mohammad Imran Siddiqi, Akhilesh K. Tamrakar, Arvind K. Srivastava

Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 169-179
Author(s): Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva, Emil Alexov

The Impact of IKr Blockade on Medicinal Chemistry Programs

Journal: Current Topics in Medicinal Chemistry
Volume: 8 Issue: 1 Year: 2008 Page: 1128-1139
Author(s): Ian M. Bell, Mark T. Bilodeau

Multidimensional Consensus QSAR: A Step towards Integrating CoMFA, CoMSIA with Traditional QSAR Methodologies (Supplementary Data)

Journal: Letters in Drug Design & Discovery
Volume: 5 Issue: 8 Year: 2008 Page: 494-502
Author(s): P. Dewangan, S. M. Verma, A. Basu, Venkatesan J.

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