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10.1093/bioinformatics/btx178 http://scihub22266oqcxt.onion/10.1093/bioinformatics/btx178 C5860314!5860314!28369284     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       Bioinformatics 2017 ; 33 (23): 3836-43 Nephropedia Template TP {{tp|p=28369284|t=2017. Spresso: an ultrafast compound pre-screening method based on compound decomposition |pdf=|usr=}}{{28369284}} gab.com Text Spresso: an ultrafast compound pre-screening method based on compound decomposition JO: Bioinformatics http://www.kidney.de/pget.php?&tw=1&pmid=28369284 #FOAvip Motivation: Recently, the number of available protein tertiary structures and compounds has increased. However, structure-based virtual screening is computationally expensive owing to docking simulations. Thus, methods that filter out obviously unnecessary compounds prior to computationally expensive docking simulations have been proposed. However, the calculation speed of these methods is not fast enough to evaluate???10 million compounds. Results: In this article, we propose a novel, docking-based pre-screening protocol named Spresso (Speedy PRE-Screening method with Segmented cOmpounds). Partial structures (fragments) are common among many compounds; therefore, the number of fragment variations needed for evaluation is smaller than that of compounds. Our method increases calculation speeds by ?200-fold compared to conventional methods. Availability and Implementation: Spresso is written in C?++ and Python, and is available as an open-source code (http://www.bi.cs.titech.ac.jp/spresso/) under the GPLv3 license. Supplementary information: Supplementary data are available at Bioinformatics online. Twit Text FOAVip Spresso: an ultrafast compound pre-screening method based on compound decomposition ????Bioinformatics http://www.kidney.de/pget.php?&tw=1&pmid=28369284 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28369284 #FOAvip English Wikipedia <ref>{{Cite pmid|28369284}}</ref> Spresso: an ultrafast compound pre-screening method based on compound decomposition #MMPMID28369284 Yanagisawa K; Komine S; Suzuki SD; Ohue M; Ishida T; Akiyama Y Bioinformatics 2017[Dec]; 33 (23): 3836-43 PMID28369284show ga Motivation: Recently, the number of available protein tertiary structures and compounds has increased. However, structure-based virtual screening is computationally expensive owing to docking simulations. Thus, methods that filter out obviously unnecessary compounds prior to computationally expensive docking simulations have been proposed. However, the calculation speed of these methods is not fast enough to evaluate???10 million compounds. Results: In this article, we propose a novel, docking-based pre-screening protocol named Spresso (Speedy PRE-Screening method with Segmented cOmpounds). Partial structures (fragments) are common among many compounds; therefore, the number of fragment variations needed for evaluation is smaller than that of compounds. Our method increases calculation speeds by ?200-fold compared to conventional methods. Availability and Implementation: Spresso is written in C?++ and Python, and is available as an open-source code (http://www.bi.cs.titech.ac.jp/spresso/) under the GPLv3 license. Supplementary information: Supplementary data are available at Bioinformatics online. äSpresso: an ultrafast compound pre-screening method based on compound (epmc).pdf DeepDyve Pubget Overpricing