| Ionization potential, electron affinity, electronegativity, hardness, and electron excitation energy: molecular properties from density functional theory orbital energies CG Zhan, JA Nichols, DA Dixon The Journal of Physical Chemistry A 107 (20), 4184-4195, 2003 | 1583 | 2003 |
| A novel Hsp90 inhibitor to disrupt Hsp90/Cdc37 complex against pancreatic cancer cells T Zhang, A Hamza, X Cao, B Wang, S Yu, CG Zhan, D Sun Molecular cancer therapeutics 7 (1), 162-170, 2008 | 444 | 2008 |
| The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentin P Bargagna-Mohan, A Hamza, Y Kim, YKA Ho, N Mor-Vaknin, ... Chemistry & biology 14 (6), 623-634, 2007 | 381 | 2007 |
| Absolute hydration free energy of the proton from first-principles electronic structure calculations CG Zhan, DA Dixon The Journal of Physical Chemistry A 105 (51), 11534-11540, 2001 | 375 | 2001 |
| Withaferin A targets heat shock protein 90 in pancreatic cancer cells Y Yu, A Hamza, T Zhang, M Gu, P Zou, B Newman, Y Li, AAL Gunatilaka, ... Biochemical pharmacology 79 (4), 542-551, 2010 | 364 | 2010 |
| Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs Z Li, X Li, YY Huang, Y Wu, R Liu, L Zhou, Y Lin, D Wu, L Zhang, H Liu, ... Proceedings of the National Academy of Sciences 117 (44), 27381-27387, 2020 | 289* | 2020 |
| Hydration of the fluoride anion: structures and absolute hydration free energy from first-principles electronic structure calculations CG Zhan, DA Dixon The Journal of Physical Chemistry A 108 (11), 2020-2029, 2004 | 230 | 2004 |
| Computational redesign of human butyrylcholinesterase for anticocaine medication Y Pan, D Gao, W Yang, H Cho, G Yang, HH Tai, CG Zhan Proceedings of the National Academy of Sciences 102 (46), 16656-16661, 2005 | 210 | 2005 |
| Most efficient cocaine hydrolase designed by virtual screening of transition states F Zheng, W Yang, MC Ko, J Liu, H Cho, D Gao, M Tong, HH Tai, ... Journal of the American Chemical Society 130 (36), 12148-12155, 2008 | 205 | 2008 |
| Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure CG Zhan, F Zheng, DA Dixon Journal of the American Chemical Society 124 (49), 14795-14803, 2002 | 196 | 2002 |
| Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase CG Zhan, F Zheng, DW Landry Journal of the American Chemical Society 125 (9), 2462-2474, 2003 | 169 | 2003 |
| Volume polarization in reaction field theory CG Zhan, J Bentley, DM Chipman The Journal of chemical physics 108 (1), 177-192, 1998 | 167 | 1998 |
| The nature and absolute hydration free energy of the solvated electron in water CG Zhan, DA Dixon The Journal of Physical Chemistry B 107 (18), 4403-4417, 2003 | 146 | 2003 |
| Ligand-based virtual screening approach using a new scoring function A Hamza, NN Wei, CG Zhan Journal of chemical information and modeling 52 (4), 963-974, 2012 | 144 | 2012 |
| Subnanomolar Inhibitor of Cytochrome bc1 Complex Designed by Optimizing Interaction with Conformationally Flexible Residues PL Zhao, L Wang, XL Zhu, X Huang, CG Zhan, JW Wu, GF Yang Journal of the American Chemical Society 132 (1), 185-194, 2010 | 144 | 2010 |
| First-principles determination of the absolute hydration free energy of the hydroxide ion CG Zhan, DA Dixon The Journal of Physical Chemistry A 106 (42), 9737-9744, 2002 | 142 | 2002 |
| Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach CG Zhan, DW Landry, RL Ornstein Journal of the American Chemical Society 122 (11), 2621-2627, 2000 | 136 | 2000 |
| Cavity size in reaction field theory CG Zhan, DM Chipman The Journal of chemical physics 109 (24), 10543-10558, 1998 | 130 | 1998 |
| Catalytic mechanism of cytochrome P450 for 5′-hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity D Li, X Huang, K Han, CG Zhan Journal of the American Chemical Society 133 (19), 7416-7427, 2011 | 129 | 2011 |
| A new, self-contained asymptotic correction scheme to exchange-correlation potentials for time-dependent density functional theory S Hirata, CG Zhan, E Aprà, TL Windus, DA Dixon The Journal of Physical Chemistry A 107 (47), 10154-10158, 2003 | 125 | 2003 |
