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Bernard, P. Bhattacharjee, B. Identification of proapoptopic, anti-inflammatory, anti- proliferative, anti-invasive and anti-angiogenic targets of essential oils in cardamom by dual reverse virtual screening and binding pose analysis. Asian Pac. Cancer Prev. Comparative reverse screening approach to identify potential anti-neoplastic targets of saffron functional components and binding mode. Discovery Studio Modeling Environment, Release Cai, J. Peptide deformylase is a potential target for anti- Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation.

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Zhongguo Zhong Yao Za Zhi 42, — Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach. Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. Proteins 43, — Chen, Z. Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets. Acta Pharmacol. Chitrala, K. Computational prediction and analysis of breast cancer targets for 6-methyl-1, 3, 8-trichlorodibenzofuran. Considine, K. Cui, Z. In silico insight into potential anti-Alzheimer's disease mechanisms of Icariin.

Da Matta, C. Novel dialkylphosphorylhydrazones: synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action. Das, S. Prediction of anti-Alzheimer's activity of flavonoids targeting acetylcholinesterase in silico. Davis, A.


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DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina. Do, Q. Reverse pharmacognosy: identifying biological properties for plants by means of their molecule constituents: application to meranzin.

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Fan, S. Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach. BMC Syst. Fang, R. Allergy 70, — Fang, X.