Bioinformatics, virtual screening

Integrated Chemo- and Bioinformatics Approaches to Virtual Screening... 

Bioinformatics Target Virtual screening Focused /n s/Z/co ADME/T... 

Then we designed and synthesized a series of neonicotinoids containing cis nitro configuration with the help of virtual screening and the aforementioned bioinformatic analysis as well as quantum chemical calculation. 

Jacob, L., Hoffmann, B., Stoven, V., and Vert, J. P. 2008. Virtual screening of GPCRs An in silica chemogenomics approach. BMC Bioinformatics 9 363. 

Tropsha A (2008) Integrated chemo and bioinformatics approaches to virtual screening. In Tropsha A, Vamek A (ed) Chemoinformatics approaches to virtual screening. SC Publishing, pp 295-325... 

A multicomponent platform ChemInfoCloud for enabUng rapid virtual screening by integrating new and existing molecular informatics applications has been built [31]. It is provided with many bioinformatics and chemoinformatics functionalities and computational flexibility for automated workflows (Fig. 10.23). 

Kellenberger, E., Rodrigo, J., Muller, R, and Rognan, D. 2004. Comparative evaluation of eight docking tools for docking and virtual screening accuracy. Proteins Structure Function Bioinformatics, 57,225-242. 

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