Danni Harris

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Fluorescence and molecular dynamics study of the internal motion of the buried tryptophan in bacteriophage T4 lysozyme: Effects of temperature and alteration of nonbonded networks

Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit

Proximal ligand effects on electronic structure and spectra of compound I of peroxidases

A role for Thr 252 in cytochrome P450cam oxygen activation

An adamantyl-substituted retinoid-derived molecule that inhibits cancer cell growth and angiogenesis by inducing apoptosis and binds to small heterodimer partner nuclear receptor: Effects of modifying its carboxylate group on apoptosis, proliferation, and

Mechanistic origin of the correlation between spin state and spectra of model cytochrome P450 ferric heme proteins

Development of a 3D pharmacophore for nonspecific ligand recognition of alpha1, alpha2, alpha3, alpha5, and alpha6 containing GABA(A)/benzodiazepine receptors

Investigation of the proton-assisted pathway to formation of the catalytically active, ferryl species of P450s by molecular dynamics studies of P450eryF

Proton-transfer dynamics in the activation of cytochrome P450eryF

Development of a peripherally restricted cb1 receptor antagonist for alcoholic steatosis

In silico predictive metabolism: A structural/electronic filter method

The development of diphenyleneiodonium analogs as GPR3 agonists

Discovery of novel proline-based neuropeptide FF receptor antagonists

Antagonist analogue of 6-[3'-(1-adamantyl)-4'-hydroxyphenyl]-2-naphthalenecarboxylic acid (AHPN) family of apoptosis inducers that effectively blocks AHPN-induced apoptosis but not cell-cycle arrest

Cytochrome P450nor: A nitric oxide reductase—Structure, spectra, and mechanism

GPCR activation: Principle component analysis as a diagnostic signature correlated with SAR

Identification of putative peroxide intermediates of peroxidases by electronic structure and spectra calculations

Inhibition of CYP2B4 by the mechanism-based inhibitor 2-ethynylnaphthalene: inhibitory potential of 2EN is dependent on the size of the substrate

The structure and electronic properties of oxy intermediates in the enzymatic cycle of cytochrome P450s

The importance of the 6- and 7-positions of tetrahydroisoquinolines as selective antagonists for the orexin 1 receptor