| Valence bond diagrams and chemical reactivity S Shaik, A Shurki Angewandte Chemie International Edition 38 (5), 586-625, 1999 | 371 | 1999 |
| A Different Story of π-delocalization the Distortivity of π-electrons and Its Chemical Manifestations S Shaik, A Shurki, D Danovich, PC Hiberty Chemical Reviews 101 (5), 1501-1540, 2001 | 295 | 2001 |
| Structure⧸ Function Correlations of Proteins using MM, QM⧸ MM, and Related Approaches: Methods, Concepts, Pitfalls, and Current Progress A Shurki, A Warshel Advances in protein chemistry 66, 249-313, 2003 | 201 | 2003 |
| Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization M Štrajbl, A Shurki, M Kato, A Warshel Journal of the American Chemical Society 125 (34), 10228-10237, 2003 | 175 | 2003 |
| Why Does Benzene Possess a D6h Symmetry? A Quasiclassical State Approach for Probing. pi.-Bonding and Delocalization Energies PC Hiberty, D Danovich, A Shurki, S Shaik Journal of the American Chemical Society 117 (29), 7760-7768, 1995 | 162 | 1995 |
| How much do enzymes really gain by restraining their reacting fragments? A Shurki, M Štrajbl, J Villa, A Warshel Journal of the American Chemical Society 124 (15), 4097-4107, 2002 | 155 | 2002 |
| Why does the Ras switch “break” by oncogenic mutations? A Shurki, A Warshel Proteins: Structure, Function, and Bioinformatics 55 (1), 1-10, 2004 | 122 | 2004 |
| Origins of the Exalted b2u Frequency in the First Excited State of Benzene S Shaik, A Shurki, D Danovich, PC Hiberty Journal of the American Chemical Society 118 (3), 666-671, 1996 | 98 | 1996 |
| Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase M S̆trajbl, A Shurki, A Warshel Proceedings of the National Academy of Sciences 100 (25), 14834-14839, 2003 | 90 | 2003 |
| Charge-Shift Bonding in Group IVB Halides: A Valence Bond Study of MH3−Cl (M = C, Si, Ge, Sn, Pb) Molecules A Shurki, PC Hiberty, S Shaik Journal of the American Chemical Society 121 (4), 822-834, 1999 | 89 | 1999 |
| Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer T Ansbacher, HK Srivastava, T Stein, R Baer, M Merkx, A Shurki Physical Chemistry Chemical Physics 14 (12), 4109-4117, 2012 | 74 | 2012 |
| A different story of benzene S Shaik, A Shurki, D Danovich, PC Hiberty Journal of Molecular Structure: THEOCHEM 398, 155-167, 1997 | 69 | 1997 |
| How valence bond theory can help you understand your (bio) chemical reaction A Shurki, E Derat, A Barrozo, SCL Kamerlin Chemical Society Reviews 44 (5), 1037-1052, 2015 | 65 | 2015 |
| Valenzbindungsdiagramme–eine Hilfe zum Verständnis chemischer Reaktivität S Shaik, A Shurki Angewandte Chemie 111 (5), 616-657, 1999 | 65 | 1999 |
| CB2 cannabinoid receptor agonist enantiomers HU-433 and HU-308: An inverse relationship between binding affinity and biological potency R Smoum, S Baraghithy, M Chourasia, A Breuer, N Mussai, ... Proceedings of the National Academy of Sciences 112 (28), 8774-8779, 2015 | 62 | 2015 |
| Using Valence Bond Theory to Understand Electronic Excited States: Application to the Hidden Excited State (2Ag) of C2nH2n+2 (n = 2−14) Polyenes W Wu, D Danovich, A Shurki, S Shaik The Journal of Physical Chemistry A 104 (38), 8744-8758, 2000 | 49 | 2000 |
| The Distortive Tendency of Benzene π Electrons: How Is It Related to Structural Observables? A Shurki, S Shaik Angewandte Chemie International Edition in English 36 (20), 2205-2208, 1997 | 44 | 1997 |
| Hybrid ab initio VB/MM method− a valence bond ride through classical landscapes A Shurki, HA Crown The Journal of Physical Chemistry B 109 (49), 23638-23644, 2005 | 36 | 2005 |
| Aromaticity and antiaromaticity: what role do ionic configurations play in delocalization and induction of magnetic properties? A Shurki, PC Hiberty, F Dijkstra, S Shaik Journal of physical organic chemistry 16 (10), 731-745, 2003 | 34 | 2003 |
| HU‐446 and HU‐465, Derivatives of the Non‐psychoactive Cannabinoid Cannabidiol, Decrease the Activation of Encephalitogenic T Cells E Kozela, C Haj, L Hanuš, M Chourasia, A Shurki, A Juknat, ... Chemical biology & drug design 87 (1), 143-153, 2016 | 33 | 2016 |
