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10.1155/2014/358425 http://scihub22266oqcxt.onion/10.1155/2014/358425 C4058261!4058261!24982867     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Biomed+Res+Int 2014 ; 2014 (ä): ä Nephropedia Template TP {{tp|p=24982867|t=2014. Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein |pdf=|usr=}}{{24982867}} gab.com Text Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein JO: Biomed Res Int http://www.kidney.de/pget.php?&tw=1&pmid=24982867 #FOAvip P-glycoprotein (P-gp) is involved in the transport of xenobiotic compounds and responsible for the decrease of the drug accumulation in multi-drug-resistant cells. In this investigation we compare several docking algorithms in order to find the conditions that are able to discriminate between P-gp binders and nonbinders. We built a comprehensive dataset of binders and nonbinders based on a careful analysis of the experimental data available in the literature, trying to overcome the discrepancy noticeable in the experimental results. We found that Autodock Vina flexible docking is the best choice for the tested options. The results will be useful to filter virtual screening results in the rational design of new drugs that are not expected to be expelled by P-gp. Twit Text FOAVip Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein ????Biomed Res Int http://www.kidney.de/pget.php?&tw=1&pmid=24982867 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=24982867 #FOAvip English Wikipedia <ref>{{Cite pmid|24982867}}</ref> Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein #MMPMID24982867 Palestro PH; Gavernet L; Estiu GL; Bruno Blanch LE Biomed Res Int 2014[]; 2014 (ä): ä PMID24982867show ga P-glycoprotein (P-gp) is involved in the transport of xenobiotic compounds and responsible for the decrease of the drug accumulation in multi-drug-resistant cells. In this investigation we compare several docking algorithms in order to find the conditions that are able to discriminate between P-gp binders and nonbinders. We built a comprehensive dataset of binders and nonbinders based on a careful analysis of the experimental data available in the literature, trying to overcome the discrepancy noticeable in the experimental results. We found that Autodock Vina flexible docking is the best choice for the tested options. The results will be useful to filter virtual screening results in the rational design of new drugs that are not expected to be expelled by P-gp. äDocking Applied to the Prediction of the Affinity of Compounds to P-Gl(epmc).pdf DeepDyve Pubget Overpricing