Search Result "molecular docking"


Recent Progress of Molecular Docking Simulations Applied to Development of Drugs

Journal: Current Bioinformatics
Volume: 7 Issue: 4 Year: 2012 Page: 352-365
Author(s): Linus Santana Azevedo,Fernanda Pretto Moraes,Mariana Morrone Xavier,Eduarda Ozorio Pantoja,Bianca Villavicencio,Jana Aline Finck,Audrey Menegaz Proenca,Kelen Beiestorf Rocha,Walter Filgueira de Azevedo

Molecular Docking of Opiates and Opioid Peptides, a Tool for the Design of Selective Agonists and Antagonists, and for the Investigation of Atypical Ligand-Receptor Interactions

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 11 Year: 2012 Page: 1587-1601
Author(s): L. Gentilucci,A. Tolomelli,R. De Marco,R. Artali

Binding of a bcl-2 Family Inhibitor to Bovine Serum Albumin: Fluorescence Quenching and Molecular Docking Study

Journal: Protein & Peptide Letters
Volume: 19 Issue: 9 Year: 2012 Page: 949-954
Author(s): Rui Zhao,Yonghua Xie,Ying Tan,Chunyan Tan,Yuyang Jiang

QSAR and Docking Studies on Different Series of Histone Deacetylase Inhibitors (HDACIs)

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 4 Year: 2012 Page: 367-378
Author(s): Yuhong Xiang, Liang Zhang, Zhuoyong Zhang

Molecular Docking Study of Catecholamines and [4-(Propan-2-yl) Phenyl]Carbamic acid with Tyrosine Hydroxylase

Journal: CNS & Neurological Disorders - Drug Targets
Volume: 11 Issue: 4 Year: 2012 Page: 463-468
Author(s): Zahida Parveen,Muhammad Sulaman Nawaz,Shazi Shakil,Nigel H. Greig,Mohammad A. Kamal

QSAR and Molecular Docking Techniques for the Discovery of Potent Monoamine Oxidase B Inhibitors: Computer-Aided Generation of New Rasagiline Bioisosteres

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 16 Year: 2012 Page: 1734-1747
Author(s): Alejandro Speck-Planche,Valeria V. Kleandrova

Rational Prediction with Molecular Dynamics for Hit Identification

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2002-2012
Author(s): Sara E. Nichols,Robert V. Swift,Rommie E. Amaro

Pharmacophore, QSAR, and Binding Mode Studies of Substrates of Human Cytochrome P450 2D6 (CYP2D6) Using Molecular Docking and Virtual Mutations and an Application to Chinese Herbal Medicine Screening

Journal: Current Pharmaceutical Biotechnology
Volume: 13 Issue: 9 Year: 2012 Page: 1640-1704
Author(s): Sui-Lin Mo,Wei-Feng Liu,Chun-Guang Li,Zhi-Wei Zhou,Hai-Bin Luo,Helen Chew,Jun Liang,Shu-Feng Zhou

Targeting the Epidermal Growth Factor Receptor: Exploring the Potential of Novel Inhibitor N-(3-Ethynylphenyl)-6, 7-bis (2-methoxyethoxy) Quinolin- 4-Amine Using Docking and Molecular Dynamics Simulation

Journal: Protein & Peptide Letters
Volume: 19 Issue: 9 Year: 2012 Page: 955-968
Author(s): Shipra Gupta,Gauri Misra,Mohan Chandra Pant,Prahlad Kishore Seth

Lobeline Docking on AChBP and Nicotinic Receptors: Discriminating Importance of the Pocket Geometry and of the Ligand Configuration

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 1 Year: 2012 Page: 54-62
Author(s): Claire Colas, Xavier Brotel, Nathalie Duclert-Savatier, Michael Nilges, Delphine Joseph, Therese E. Malliavin

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