Use my Search Websuite to scan PubMed, PMCentral, Journal Hosts and Journal Archives, FullText. Kick-your-searchterm to multiple Engines kick-your-query now !>

A dictionary by aggregated review articles of nephrology, medicine and the life sciences Your one-stop-run pathway from word to the immediate pdf of peer-reviewed on-topic knowledge.

10.1080/08927022.2020.1800691 http://scihub22266oqcxt.onion/10.1080/08927022.2020.1800691 34191894!7441769!34191894     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=34191894&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215       Mol+Simul 2020 ; 46 (14): 1055-1061 Nephropedia Template TP {{tp|p=34191894|t=2020. Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors |pdf=|usr=}}{{34191894}} gab.com Text Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors JO: Mol Simul http://www.kidney.de/pget.php?&tw=1&pmid=34191894 #FOAvip Multivariate image analysis applied to quantitative structure-activity relationships (MIA-QSAR) has proved to be a high-performance 2D tool for drug design purposes. Nonetheless, MIA-QSAR strategy does not efficiently incorporate conformational information. Therefore, understanding the implications of including this type of data into the MIA-QSAR model, in terms of predictability and interpretability, seems a crucial task. Conformational information was included considering the optimised geometries and the docked structures of a series of disulfide compounds potentially useful as SARS-CoV protease inhibitors. The traditional analysis (based on flat-shape molecules) proved itself as the most effective technique, which means that, despite the undeniable importance of conformation for biomolecular behaviour, this type of information did not bring relevant contributions for MIA-QSAR modelling. Consequently, promising drug candidates were proposed on the basis of MIA-plot analyses, which account for PLS regression coefficients and variable importance in projection scores of the MIA-QSAR model. Twit Text FOAVip Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors ????Mol Simul http://www.kidney.de/pget.php?&tw=1&pmid=34191894 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34191894 #FOAvip English Wikipedia <ref>{{Cite pmid|34191894}}</ref> Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors #MMPMID34191894 Dare JK; Silva DR; Ramalho TC; Freitas MP Mol Simul 2020[Aug]; 46 (14): 1055-1061 PMID34191894show ga Multivariate image analysis applied to quantitative structure-activity relationships (MIA-QSAR) has proved to be a high-performance 2D tool for drug design purposes. Nonetheless, MIA-QSAR strategy does not efficiently incorporate conformational information. Therefore, understanding the implications of including this type of data into the MIA-QSAR model, in terms of predictability and interpretability, seems a crucial task. Conformational information was included considering the optimised geometries and the docked structures of a series of disulfide compounds potentially useful as SARS-CoV protease inhibitors. The traditional analysis (based on flat-shape molecules) proved itself as the most effective technique, which means that, despite the undeniable importance of conformation for biomolecular behaviour, this type of information did not bring relevant contributions for MIA-QSAR modelling. Consequently, promising drug candidates were proposed on the basis of MIA-plot analyses, which account for PLS regression coefficients and variable importance in projection scores of the MIA-QSAR model. ?Conformational fingerprints in the modelling performance of MIA-QSAR: (epmc).pdf DeepDyve Pubget Overpricing