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The Journal of Physical Chemistry. B|December 27, 2005
Hybrid ab initio VB/MM method--a valence bond ride through classical landscapesAvital Shurki, Hadar A CrownThe Journal of Physical Chemistry. A|February 26, 2008
Density embedded VB/MM: a hybrid ab initio VB/MM with electrostatic embeddingAvital Sharir-Ivry, Hadar A Crown, Wei Wu, et al.Proteins|May 20, 2009
The structure of G117H mutant of butyrylcholinesterase: nerve agents scavengerMoshe Amitay, Avital ShurkiProteins|March 5, 2004
Why does the Ras switch "break" by oncogenic mutations?Avital Shurki, Arieh WarshelThe Journal of Physical Chemistry. B|April 7, 2012
Predicting the coordination number within copper chaperones: Atox1 as case studyTamar Ansbacher, Avital ShurkiAngewandte Chemie (International Ed. in English)|May 2, 2018
Valence Bond Diagrams and Chemical ReactivitySason Shaik, Avital ShurkiProteins|November 11, 2010
Hydrolysis of organophosphate compounds by mutant butyrylcholinesterase: a story of two histidinesMoshe Amitay, Avital ShurkiJournal of Chemical Theory and Computation|May 15, 2023
New Methodology to Produce Sets of Valence Bond Structures with Enhanced Chemical InsightsSourav Roy, Avital ShurkiThe Journal of Chemical Physics|June 13, 2025
The topological way-A new methodology to construct symmetric sets of valence-bond structuresSourav Roy, Avital ShurkiThe Journal of Physical Chemistry. A|July 16, 2008
A VB/MM view of the identity S(N)2 valence-bond state correlation diagram in aqueous solutionAvital Sharir-Ivry, Avital ShurkiPageof 3