نتایج جستجو برای: catalytic methods

تعداد نتایج: 1948485  

2010
Sriram Sankararaman Fei Sha Jack F. Kirsch Michael I. Jordan Kimmen Sjölander

MOTIVATION The identification of catalytic residues is a key step in understanding the function of enzymes. While a variety of computational methods have been developed for this task, accuracies have remained fairly low. The best existing method exploits information from sequence and structure to achieve a precision (the fraction of predicted catalytic residues that are catalytic) of 18.5% at a...

Journal: :ANADOLU UNIVERSITY JOURNAL OF SCIENCE AND TECHNOLOGY A - Applied Sciences and Engineering 2018

Journal: :journal of physical & theoretical chemistry 2011
mohammad khodadadi-moghaddam faramarz sadeghzadeh darabi

heterogeneous catalytic hydrogenation of cyclohexene, catalyzed by pt/a1203, was carried out in thirteenvarious solvents (four alcoholic solvents, six aprotic polar solvents and three non polar solvents) at 25 °c.single-parameter correlations of logk vs. normalized polarity parameter (etn), hydrogen-bond acceptorbasicity (p), hydrogen-bond donor acidity (a) and dipolarity/polarizibility (it*) d...

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