검색결과 : 15건
| No. | Article |
|---|---|
| 1 |
Predicting the Coordination Number within Copper Chaperones: Atox1 as Case Study Ansbacher T, Shurki A Journal of Physical Chemistry B, 116(15), 4425, 2012 |
| 2 |
VB/MM Protein Landscapes: A Study of the S(N)2 Reaction in Haloalkane Dehalogenase Sharir-Ivry A, Shnerb T, Strajbl M, Shurki A Journal of Physical Chemistry B, 114(6), 2212, 2010 |
| 3 |
Density embedded VB/MM: A hybrid ab initio VB/MM with electrostatic embedding Sharir-Ivry A, Crown HA, Wu W, Shurki A Journal of Physical Chemistry A, 112(11), 2489, 2008 |
| 4 |
A VB/MM View of the Identity S(N)2 Valence-Bond State Correlation Diagram in Aqueous Solution Sharir-Ivry A, Shurki A Journal of Physical Chemistry A, 112(50), 13157, 2008 |
| 5 |
VB/MM - The validity of the underlying approximations Sharir-Ivry A, Shurki A Journal of Physical Chemistry B, 112(39), 12491, 2008 |
| 6 |
Hybrid ab initio VB/MM method - A valence bond ride through classical landscapes Shurki A, Crown HA Journal of Physical Chemistry B, 109(49), 23638, 2005 |
| 7 |
Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization Strajbl M, Shurki A, Kato M, Warshel A Journal of the American Chemical Society, 125(34), 10228, 2003 |
| 8 |
How much do enzymes really gain by restraining their reacting fragments? Shurki A, Strajbl M, Villa J, Warshel A Journal of the American Chemical Society, 124(15), 4097, 2002 |
| 9 |
A different story of pi-delocalization - The distortivity of pi-electrons and its chemical manifestations Shaik S, Shurki A, Danovich D, Hiberty PC Chemical Reviews, 101(5), 1501, 2001 |
| 10 |
A valence bond study of the bonding in first row transition metal hydride cations: What energetic role does covalency play? Galbraith JM, Shurki A, Shaik S Journal of Physical Chemistry A, 104(6), 1262, 2000 |