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10.1039/d0cs01065k http://scihub22266oqcxt.onion/10.1039/d0cs01065k 34212944!8371861!34212944     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Chem+Soc+Rev 2021 ; 50 (16): 9121-9151 Nephropedia Template TP {{tp|p=34212944|t=2021. A critical overview of computational approaches employed for COVID-19 drug discovery |pdf=|usr=}}{{34212944}} gab.com Text A critical overview of computational approaches employed for COVID-19 drug discovery JO: Chem Soc Rev http://www.kidney.de/pget.php?&tw=1&pmid=34212944 #FOAvip COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought the most severe disruptions to societies and economies since the Great Depression. Massive experimental and computational research effort to understand and characterize the disease and rapidly develop diagnostics, vaccines, and drugs has emerged in response to this devastating pandemic and more than 130 000 COVID-19-related research papers have been published in peer-reviewed journals or deposited in preprint servers. Much of the research effort has focused on the discovery of novel drug candidates or repurposing of existing drugs against COVID-19, and many such projects have been either exclusively computational or computer-aided experimental studies. Herein, we provide an expert overview of the key computational methods and their applications for the discovery of COVID-19 small-molecule therapeutics that have been reported in the research literature. We further outline that, after the first year the COVID-19 pandemic, it appears that drug repurposing has not produced rapid and global solutions. However, several known drugs have been used in the clinic to cure COVID-19 patients, and a few repurposed drugs continue to be considered in clinical trials, along with several novel clinical candidates. We posit that truly impactful computational tools must deliver actionable, experimentally testable hypotheses enabling the discovery of novel drugs and drug combinations, and that open science and rapid sharing of research results are critical to accelerate the development of novel, much needed therapeutics for COVID-19. Twit Text FOAVip A critical overview of computational approaches employed for COVID-19 drug discovery ????Chem Soc Rev http://www.kidney.de/pget.php?&tw=1&pmid=34212944 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34212944 #FOAvip English Wikipedia <ref>{{Cite pmid|34212944}}</ref> A critical overview of computational approaches employed for COVID-19 drug discovery #MMPMID34212944 Muratov EN; Amaro R; Andrade CH; Brown N; Ekins S; Fourches D; Isayev O; Kozakov D; Medina-Franco JL; Merz KM; Oprea TI; Poroikov V; Schneider G; Todd MH; Varnek A; Winkler DA; Zakharov AV; Cherkasov A; Tropsha A Chem Soc Rev 2021[Aug]; 50 (16): 9121-9151 PMID34212944show ga COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought the most severe disruptions to societies and economies since the Great Depression. Massive experimental and computational research effort to understand and characterize the disease and rapidly develop diagnostics, vaccines, and drugs has emerged in response to this devastating pandemic and more than 130 000 COVID-19-related research papers have been published in peer-reviewed journals or deposited in preprint servers. Much of the research effort has focused on the discovery of novel drug candidates or repurposing of existing drugs against COVID-19, and many such projects have been either exclusively computational or computer-aided experimental studies. Herein, we provide an expert overview of the key computational methods and their applications for the discovery of COVID-19 small-molecule therapeutics that have been reported in the research literature. We further outline that, after the first year the COVID-19 pandemic, it appears that drug repurposing has not produced rapid and global solutions. However, several known drugs have been used in the clinic to cure COVID-19 patients, and a few repurposed drugs continue to be considered in clinical trials, along with several novel clinical candidates. We posit that truly impactful computational tools must deliver actionable, experimentally testable hypotheses enabling the discovery of novel drugs and drug combinations, and that open science and rapid sharing of research results are critical to accelerate the development of novel, much needed therapeutics for COVID-19. |*COVID-19 Drug Treatment[MESH] |*Computer Simulation[MESH] |*Drug Design[MESH] |*Drug Repositioning[MESH] |Antiviral Agents/therapeutic use[MESH] |COVID-19/virology[MESH] |Clinical Trials as Topic[MESH] |Drug Discovery/*methods[MESH] |Humans[MESH] |Pandemics[MESH]A critical overview of computational approaches employed for COVID-19 (epmc).pdf DeepDyve Pubget Overpricing