Dan Harris
Molecular Research Institute(US)
Publications by Year
Research Areas
Pharmacogenetics and Drug Metabolism, Computational Drug Discovery Methods, Protein Structure and Dynamics, Metal-Catalyzed Oxygenation Mechanisms, Hemoglobin structure and function
Most-Cited Works
- → Structure and Spectra of Ferrous Dioxygen and Reduced Ferrous Dioxygen Model Cytochrome P450(1998)86 cited
- → Construction and Assessment of Models of CYP2E1: Predictions of Metabolism from Docking, Molecular Dynamics, and Density Functional Theoretical Calculations(2003)76 cited
- → Determinants of the spin state of the resting state of cytochrome P450cam(1993)60 cited
- → Calculation of the electronic structure and spectra of model cytochrome P450 compound I(2001)52 cited
- → Structure and Relative Spin-State Energetics of [Fe(H2O)6]3+: A Comparison of UHF, Møller−Plesset, Nonlocal DFT, and Semiempircal INDO/S Calculations(1997)46 cited
- → Comparative study of free energies of solvation of phenylimidazole inhibitors of cytochrome P450cam by free energy simulation, AMSOL, and Poisson Boltzmann methods(1996)14 cited
- → Molecular Dynamics Simulations of Phenylimidazole Inhibitor Complexes of Cytochrome P450 cam(1995)7 cited
- → T4 phage lysozyme: a protein designed for understanding tryptophan photophysics(1990)3 cited
- → <title>Mutagenic effects on the fluorescence of tryptophan residues in bacteriophage T4 lysozyme: correlation with dynamics</title>(1992)2 cited