Danni Harris

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Calculations of the structure and spectra of the putative transient peroxide intermediates of peroxidases

Role of the heme active site and protein environment in structure, spectra, and function of the cytochrome p450s

Theoretical study of the ligand-CYP2B4 complexes: Effect of structure on binding free energies and heme spin state

Molecular determinants of recognition and activation at GABAA/benzodiazepine receptors

Effect of 1-substitution on tetrahydroisoquinolines as selective antagonists for the orexin-1 receptor

Theoretical investigation of the proton assisted pathway to formation of cytochrome P450 compound I

Design, synthesis, and structure–activity relationship studies of novel GPR88 agonists (4-substituted-phenyl)acetamides based on the reversed amide scaffold

Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models

Blocking alcoholic steatosis in mice with a peripherally restricted purine antagonist of the type 1 cannabinoid receptor

Rational design of cannabinoid type-1 receptor allosteric modulators: Org27569 and PSNCBAM-1 hybrids

Oxidation and electronic state dependence of proton transfer in the enzymatic cycle of cytochrome P450eryF

Calculation of the electronic structure and spectra of model cytochrome P450 compound I

Comparative study of free energies of solvation of phenylimidazole inhibitors of cytochrome P450cam by free energy simulation, AMSOL, and Poisson Boltzmann methods

Identification of N-{[6-chloro-4-(2,6-dimethoxyphenyl)quinazolin-2-yl]carbonyl}-l-leucine (NTRC-808), a novel nonpeptide chemotype selective for the neurotensin receptor type 2

RTI International researchers awarded grant funding to explore drugs for chronic pain, cancer

Structure-activity relationship development efforts towards peripherally selective analogs of the cannabinoid receptor partial agonist BAY 59-3074

Effect of substitution on the aniline moiety of the GPR88 agonist 2-PCCA: Synthesis, structure-activity relationships, and molecular modeling studies

Regulation of the apelinergic system and its potential in cardiovascular disease: Peptides and small molecules as tools for discovery

High-valent intermediates of heme proteins and model compounds

Identifying structural determinants of potency for analogs of apelin-13: Integration of C-terminal truncation with structure-activity