| Density embedded VB/MM: A hybrid ab initio VB/MM with electrostatic embedding A Sharir-Ivry, HA Crown, W Wu, A Shurki The Journal of Physical Chemistry A 112 (11), 2489-2496, 2008 | 25 | 2008 |
| The Impact of Native State Switching on Protein Sequence Evolution A Sharir-Ivry, Y Xia Molecular biology and evolution, 2017 | 17 | 2017 |
| A VB/MM View of the Identity SN2 Valence-Bond State Correlation Diagram in Aqueous Solution A Sharir-Ivry, A Shurki The Journal of Physical Chemistry A 112 (50), 13157-13163, 2008 | 16 | 2008 |
| Nature of long-range evolutionary constraint in enzymes: insights from comparison to pseudoenzymes with similar structures A Sharir-Ivry, Y Xia Molecular Biology and Evolution, 2018 | 14 | 2018 |
| VB/MM Protein Landscapes: A Study of the SN2 Reaction in Haloalkane Dehalogenase A Sharir-Ivry, T Shnerb, M Strajbl, A Shurki The Journal of Physical Chemistry B 114 (6), 2212-2218, 2010 | 13 | 2010 |
| Quantifying evolutionary importance of protein sites: A Tale of two measures A Sharir-Ivry, Y Xia PLoS Genetics 17 (4), e1009476, 2021 | 12 | 2021 |
| Valence bond and enzyme catalysis: a time to break down and a time to build up A Sharir‐Ivry, R Varatharaj, A Shurki Chemistry–A European Journal 21 (19), 7159-7169, 2015 | 10 | 2015 |
| Challenges within the linear response approximation when studying enzyme catalysis and effects of mutations A Sharir-Ivry, R Varatharaj, A Shurki Journal of Chemical Theory and Computation 11 (1), 293-302, 2015 | 9 | 2015 |
| VB/MM The Validity of the Underlying Approximations A Sharir-Ivry, A Shurki The Journal of Physical Chemistry B 112 (39), 12491-12497, 2008 | 9 | 2008 |
| Non-catalytic binding sites induce weaker long-range evolutionary rate gradients than catalytic sites in enzymes A Sharir-Ivry, Y Xia Journal of molecular biology 431 (19), 3860-3870, 2019 | 7 | 2019 |
| Using pseudoenzymes to probe evolutionary design principles of enzymes A Sharir-Ivry, Y Xia Evolutionary Bioinformatics 15, 1176934319855937, 2019 | 6 | 2019 |
| Valence Bond‐Based Hybrid Quantum Mechanics Molecular Mechanics Approaches and Proper Inclusion of the Effect of the Surroundings A Shurki, A Sharir‐Ivry Israel Journal of Chemistry 54 (8‐9), 1189-1204, 2014 | 4 | 2014 |
| Implementing Protein-Polarized Ligand Charges into Relative Protein Ligand Binding Affinities Calculations S Adam, I Kass, DK Zussman, G Masarati, D Shemesh, A Sharir-Ivry | | 2023 |
| Enzyme catalysis: Insights from valence bond A Sharir-Ivry, V Rajapandian, A Shurki ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Insights from Valence Bond Into Catalysis in the Haloalkane Dehalogenase Enzyme A Sharir-Ivry Hebrew University of Jerusalem, 2013 | | 2013 |
| VB/MM-Methods for Reactions in Large Systems: Development and Applications A Sharir-Ivry Hebrew University of Jerusalem, 2007 | | 2007 |
Avital ShurkiAssociate Professor, The Hebrew University of JerusalemVerified email at mail.huji.ac.il
