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Physical Chemistry Chemical Physics : PCCP|June 25, 2010
Valence bond all the way: from the degenerate H-exchange to cytochrome P450Sason ShaikACS Physical Chemistry Au|May 27, 2024
My Vision of Electric-Field-Aided Chemistry in 2050Sason ShaikThe Journal of Physical Chemistry. B|September 5, 2008
VB/MM--the validity of the underlying approximationsAvital Sharir-Ivry, Avital ShurkiProteins|April 5, 2013
Copper-chaperones with dicoordinated Cu(I)--unique protection mechanismTamar Ansbacher, Mukesh Chourasia, Avital ShurkiProceedings of the National Academy of Sciences of the United States of America|December 6, 2003
Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthaseMarek Strajbl, Avital Shurki, Arieh WarshelBiochemistry|August 31, 2007
What is the role of the helical domain of Gsalpha in the GTPase reaction?Tamar Shnerb, Naama Lin, Avital ShurkiJournal of Chemical Theory and Computation|November 18, 2015
Challenges within the linear response approximation when studying enzyme catalysis and effects of mutationsAvital Sharir-Ivry, Rajapandian Varatharaj, Avital ShurkiChemistry (Weinheim an Der Bergstrasse, Germany)|March 27, 2015
Valence bond and enzyme catalysis: a time to break down and a time to build upAvital Sharir-Ivry, Rajapandian Varatharaj, Avital ShurkiJournal of the American Chemical Society|March 19, 2011
Can ferric-superoxide act as a potential oxidant in P450(cam)? QM/MM investigation of hydroxylation, epoxidation, and sulfoxidationWenzhen Lai, Sason ShaikJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|March 5, 2011
Lessons on O2 and NO bonding to heme from ab initio multireference/multiconfiguration and DFT calculationsSason Shaik, Hui ChenPageof 31