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10.14440/jbm.2021.351 http://scihub22266oqcxt.onion/10.14440/jbm.2021.351 34104664!8175336!34104664     free     free     free Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biol+Methods 2021 ; 8 (2 COVID 19 Spec Iss): e148 Nephropedia Template TP {{tp|p=34104664|t=2021. Virtual screening on the web for drug repurposing: a primer |pdf=|usr=}}{{34104664}} gab.com Text Virtual screening on the web for drug repurposing: a primer JO: J Biol Methods http://www.kidney.de/pget.php?&tw=1&pmid=34104664 #FOAvip We describe a procedure of performing in silico (virtual) screening using a web-based service, the MTiOpenScreen, which is freely accessible to non-commercial users. We shall use the SARS-CoV-2 main protease as an example. Starting from a structure downloaded from the Protein Data Bank, we discuss how to prepare the coordinates file, taking into account the known biochemical background information of the target protein. The reader will find that this preparation step takes up most of the effort before the target is ready for screening. The steps for uploading the target structure and defining the search volume by critical residues, and the main parameters to use, are outlined. When this protocol is followed, the user will expect to obtain a ranked list of small approved drug compounds docked into the target structure. The results can be readily examined graphically on the web site or downloaded for studying in a local molecular graphics program such as PyMOL. Twit Text FOAVip Virtual screening on the web for drug repurposing: a primer ????J Biol Methods http://www.kidney.de/pget.php?&tw=1&pmid=34104664 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34104664 #FOAvip English Wikipedia <ref>{{Cite pmid|34104664}}</ref> Virtual screening on the web for drug repurposing: a primer #MMPMID34104664 Chen YW; Yiu CB; Wong KY J Biol Methods 2021[]; 8 (2 COVID 19 Spec Iss): e148 PMID34104664show ga We describe a procedure of performing in silico (virtual) screening using a web-based service, the MTiOpenScreen, which is freely accessible to non-commercial users. We shall use the SARS-CoV-2 main protease as an example. Starting from a structure downloaded from the Protein Data Bank, we discuss how to prepare the coordinates file, taking into account the known biochemical background information of the target protein. The reader will find that this preparation step takes up most of the effort before the target is ready for screening. The steps for uploading the target structure and defining the search volume by critical residues, and the main parameters to use, are outlined. When this protocol is followed, the user will expect to obtain a ranked list of small approved drug compounds docked into the target structure. The results can be readily examined graphically on the web site or downloaded for studying in a local molecular graphics program such as PyMOL. äVirtual screening on the web for drug repurposing: a primer (epmc).pdf DeepDyve Pubget Overpricing