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10.1002/minf.202000028 http://scihub22266oqcxt.onion/10.1002/minf.202000028 32162456!7228259!32162456     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Mol+Inform 2020 ; 39 (8): e2000028 Nephropedia Template TP {{tp|p=32162456|t=2020. Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1 3 Billion Compounds |pdf=|usr=}}{{32162456}} gab.com Text Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1 3 Billion Compounds JO: Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32162456 #FOAvip The recently emerged 2019 Novel Coronavirus (SARS-CoV-2) and associated COVID-19 disease cause serious or even fatal respiratory tract infection and yet no approved therapeutics or effective treatment is currently available to effectively combat the outbreak. This urgent situation is pressing the world to respond with the development of novel vaccine or a small molecule therapeutics for SARS-CoV-2. Along these efforts, the structure of SARS-CoV-2 main protease (Mpro) has been rapidly resolved and made publicly available to facilitate global efforts to develop novel drug candidates. Recently, our group has developed a novel deep learning platform - Deep Docking (DD) which provides fast prediction of docking scores of Glide (or any other docking program) and, hence, enables structure-based virtual screening of billions of purchasable molecules in a short time. In the current study we applied DD to all 1.3 billion compounds from ZINC15 library to identify top 1,000 potential ligands for SARS-CoV-2 Mpro protein. The compounds are made publicly available for further characterization and development by scientific community. Twit Text FOAVip Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1 3 Billion Compounds ????Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32162456 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32162456 #FOAvip English Wikipedia <ref>{{Cite pmid|32162456}}</ref> Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1 3 Billion Compounds #MMPMID32162456 Ton AT; Gentile F; Hsing M; Ban F; Cherkasov A Mol Inform 2020[Aug]; 39 (8): e2000028 PMID32162456show ga The recently emerged 2019 Novel Coronavirus (SARS-CoV-2) and associated COVID-19 disease cause serious or even fatal respiratory tract infection and yet no approved therapeutics or effective treatment is currently available to effectively combat the outbreak. This urgent situation is pressing the world to respond with the development of novel vaccine or a small molecule therapeutics for SARS-CoV-2. Along these efforts, the structure of SARS-CoV-2 main protease (Mpro) has been rapidly resolved and made publicly available to facilitate global efforts to develop novel drug candidates. Recently, our group has developed a novel deep learning platform - Deep Docking (DD) which provides fast prediction of docking scores of Glide (or any other docking program) and, hence, enables structure-based virtual screening of billions of purchasable molecules in a short time. In the current study we applied DD to all 1.3 billion compounds from ZINC15 library to identify top 1,000 potential ligands for SARS-CoV-2 Mpro protein. The compounds are made publicly available for further characterization and development by scientific community. |*Molecular Docking Simulation[MESH] |Antiviral Agents/chemistry/metabolism[MESH] |Area Under Curve[MESH] |Betacoronavirus/isolation & purification/metabolism[MESH] |Binding Sites[MESH] |COVID-19[MESH] |Coronavirus Infections/*pathology/virology[MESH] |Drug Discovery[MESH] |Humans[MESH] |Hydrogen Bonding[MESH] |Ligands[MESH] |Pandemics[MESH] |Pneumonia, Viral/*pathology/virology[MESH] |Protease Inhibitors/*chemistry/metabolism[MESH] |ROC Curve[MESH] |SARS-CoV-2[MESH] |Small Molecule Libraries/*chemistry/metabolism[MESH]Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protea(epmc).pdf DeepDyve Pubget Overpricing