| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2003 | A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: application to E. coli ribonuclease H1 | Babu, C. S.; Dudev, T.; Casareno, R.; Cowan, J. A.; Lim, C. | J Am Chem Soc 125, 9318-9328 | | | |
| 2006 | A DFT/CDM Study of metal-carboxylate interactions in metalloproteins: factors governing the maximum number of metal-bound carboxylates | Dudev, T.; Lim, C. | J Am Chem Soc 128, 1553-1561 | | | |
| 2007 | All-electron calculations of the nucleation structures in metal-induced zinc-finger folding: role of the peptide backbone | Dudev, T.; Lim, C. | J Am Chem Soc 129(41), 12497-12504 | | | |
| 2006 | Competition between protein ligands and cytoplasmic inorganic anions for the metal cation: a DFT/CDM study | Dudev, T.; Lim, C. | J Am Chem Soc 128(32), 10541-10548 | | | |
| 1999 | Competitive Binding in Magnesium Coordination Chemistry: Water versus Ligands of Biological Interest | Dudev, T.; Cowan, J.; Lim, C. | J Am Chem Soc 121, 7665-7673 | | | |
| 2000 | Design, synthesis, and SAR of novel carbapenem antibiotics with high stability to Xanthomonas maltophilia oxyiminocephalosporinase type II | Hakimelahi, G. H.; Moosavi-Movahedi, A. A.; Tsay, S. C.; Tsai, F. Y.; Wright, J. D.; Dudev, T.; Hakimelahi, S.; Lim, C. | J Med Chem 43, 3632-3640 | | | |
| 2007 | Effect of carboxylate-binding mode on metal binding and electivity in proteins | Dudev, T.; Lim, C. | ACCOUNTS OF CHEMICAL RESEARCH 40(1), 85-93 | | | |
| 2006 | Factor governing the metal coordination number in metal complexes from cambridge structural database analyses | Dudev, M.; Wang, J.; Dudev, T.; Lim, C. | J Phys Chem B 110, 1889-1895 | | | |
| 2002 | Factors governing the protonation state of cysteines in proteins: an Ab initio/CDM study | Dudev, T.; Lim, C. | J Am Chem Soc 124, 6759-6766 | | | |
| 2005 | Factors governing the substitution of La3+ for Ca2+ and Mg2+ in metalloproteins: a DFT/CDM study | Dudev, T.; Chang, L. Y.; Lim, C. | J Am Chem Soc 127, 4091-4103 | | | |
| 2003 | First-second shell interactions in metal binding sites in proteins: a PDB survey and DFT/CDM calculations | Dudev, T.; Lin, Y. L.; Dudev, M.; Lim, C. | J Am Chem Soc 125, 3168-3180 | | | |
| 1999 | Incremental Binding Free Energies in Mg2+ Complexes: A DFT Study | Dudev, T.; Lim, C. | J Phys Chem A 103, 8093-8100 | | | |
| 2008 | Metal binding affinity and selectivity in metalloproteins: insights from computational studies | Dudev, T.; Lim, C. | Annu Rev Biophys 37, 97-116 | | | |
| 2003 | Metal Binding and Selectivity in Zinc Proteins | Dudev, T.; Lim, C. | J Chin Chem Soc 50, 1093-1102 | | | |
| 2000 | Metal Binding in Proteins: The Effect of the Dielectric Medium | Dudev, T.; Lim, C. | J Phys Chem B 104, 3692-3694 | | | |
| 2001 | Metal Selectivity in Metalloproteins: Zn2+ vs Mg2+ | Dudev, T.; Lim, C. | J Phys Chem B 105, 4446-4452 | | | |
| 2001 | Modeling Zn2+-Cysteinate Complexes in Proteins | Dudev, T.; Lim, C. | J Phys Chem B 105, 10709-10714 | | | |
| 2004 | Monodentate versus Bidentate Carboxylate Binding in Magnesium and Calcium Proteins: What Are the Basic Principles? | Dudev, T.; Lim, C. | J Phys Chem B 108, 4546-4557 | | | |
| 2008 | Mononuclear versus binuclear metal-binding sites: metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations | Yang, T. Y.; Dudev, T.; Lim, C. | J Am Chem Soc 130(12), 3844-3852 | | | |
| 2004 | Oxyanion Selectivity in Sulfate and Molybdate Transport Proteins: An ab Initio/CDM Study | Dudev, T.; Lim, C. | J Am Chem Soc 126, 10296-10304 | | | |
