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10.1073/pnas.1417923111 http://scihub22266oqcxt.onion/10.1073/pnas.1417923111 C4284547!4284547!25503367     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 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 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Proc+Natl+Acad+Sci+U+S+A 2014 ; 111 (52): 18454-9 Nephropedia Template TP {{tp|p=25503367|t=2014. Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site |pdf=|usr=}}{{25503367}} gab.com Text Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site JO: Proc Natl Acad Sci U S A http://www.kidney.de/pget.php?&tw=1&pmid=25503367 #FOAvip Because of the low mass of the proton, nuclear quantum effects can dramatically alter the properties of hydrogen-bond networks, especially when short and strong hydrogen bonds occur. Here, we combine experiments and state-of-the-art simulations that include the quantum nature of both the electrons and nuclei to show that the enzyme ketosteroid isomerase contains a hydrogen-bond network in its active site that facilitates extensive quantum proton delocalization. This leads to a 10,000-fold increase in the acidity of an active-site residue compared with the limit where the nuclei are classical particles. This work opens up new avenues for understanding the interplay between quantum effects and hydrogen bonding in biological systems containing strong hydrogen bonds. Twit Text FOAVip Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site ????Proc Natl Acad Sci U S A http://www.kidney.de/pget.php?&tw=1&pmid=25503367 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=25503367 #FOAvip English Wikipedia <ref>{{Cite pmid|25503367}}</ref> Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site #MMPMID25503367 Wang L; Fried SD; Boxer SG; Markland TE Proc Natl Acad Sci U S A 2014[Dec]; 111 (52): 18454-9 PMID25503367show ga Because of the low mass of the proton, nuclear quantum effects can dramatically alter the properties of hydrogen-bond networks, especially when short and strong hydrogen bonds occur. Here, we combine experiments and state-of-the-art simulations that include the quantum nature of both the electrons and nuclei to show that the enzyme ketosteroid isomerase contains a hydrogen-bond network in its active site that facilitates extensive quantum proton delocalization. This leads to a 10,000-fold increase in the acidity of an active-site residue compared with the limit where the nuclei are classical particles. This work opens up new avenues for understanding the interplay between quantum effects and hydrogen bonding in biological systems containing strong hydrogen bonds. äQuantum delocalization of protons in the hydrogen-bond network of an e(epmc).pdf DeepDyve Pubget Overpricing