Citations 37

Zinc's Affect on Proton Transfer between Imidazole and Acetate Predicted by ab Initio Calculations

The Journal of Physical Chemistry B | July 26, 2002 | Volume: 104 | Issue: 28 | Pages: 6662-6667

10.1021/jp994283x

Proton Dissociation Energies of Zinc-Coordinated Hydroxamic Acids and Their Relative Affinities for Zinc:  Insight into Design of Inhibitors of Zinc-Containing Proteinases

The Journal of Physical Chemistry B | July 26, 2002 | Volume: 104 | Issue: 27 | Pages: 6499-6504

10.1021/jp0012707

Successful Virtual Screening of a Chemical Database for Farnesyltransferase Inhibitor Leads

Journal of Medicinal Chemistry | July 26, 2002 | Volume: 43 | Issue: 3 | Pages: 401-408

10.1021/jm990408a | PMID 10669567

Ab Initio Calculations of Proton Dissociation Energies of Zinc Ligands:  Hypothesis of Imidazolate as Zinc Ligand in Proteins

The Journal of Physical Chemistry B | July 26, 2002 | Volume: 103 | Issue: 41 | Pages: 8773-8779

10.1021/jp991787m

Novel Stable Configurations and Tautomers of the Neutral and Deprotonated Hydroxamic Acids Predicted from High-Level ab Initio Calculations

The Journal of Physical Chemistry A | July 26, 2002 | Volume: 103 | Issue: 41 | Pages: 8346-8350

10.1021/jp992203j

Heterodimeric Tacrine-Based Acetylcholinesterase Inhibitors:  Investigating Ligand−Peripheral Site Interactions

Journal of Medicinal Chemistry | July 26, 2002 | Volume: 42 | Issue: 20 | Pages: 4225-4231

10.1021/jm990224w | PMID 10514292

Protonation States of the Chromophore of Denatured Green Fluorescent Proteins Predicted by ab Initio Calculations

Journal of the American Chemical Society | July 26, 2002 | Volume: 122 | Issue: 46 | Pages: 11411-11415

10.1021/ja0008721