Published in J Biol Chem on March 05, 1988
Protein dynamics in cytochrome P450 molecular recognition and substrate specificity using 2D IR vibrational echo spectroscopy. J Am Chem Soc (2011) 1.04
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Protein dynamics studied with ultrafast two-dimensional infrared vibrational echo spectroscopy. Acc Chem Res (2012) 0.89
Correlating structure and function of drug-metabolizing enzymes: progress and ongoing challenges. Drug Metab Dispos (2013) 0.82
Controlling the regiospecificity and coupling of cytochrome P450cam: T185F mutant increases coupling and abolishes 3-hydroxynorcamphor product. Protein Sci (1993) 0.77
A molecular dynamics study of Fe2S2 putidaredoxin: multiple conformations of the C-terminal region. Biophys J (1997) 0.77
Conformational selectivity in cytochrome P450 redox partner interactions. Proc Natl Acad Sci U S A (2016) 0.76
Molecular dynamics simulations of phospholipid bilayers. J Biomol Struct Dyn (1994) 2.06
Semiempirical calculations of model oxyheme: Variation of calculated electromagnetic properties with electronic configuration and oxygen geometry. J Am Chem Soc (1977) 1.05
Semiempirical calculations of model deoxyheme. Variation of calculated electromagnetic properties with electronic configuration and distance of iron from the plane. Biophys J (1978) 1.01
Construction of a 3D model of cytochrome P450 2B4. Protein Eng (1997) 0.98
Quantum chemical studies of morphine-like opiate narcotics. Effect of N-substituent variations. J Med Chem (1975) 0.94
The hyperphagic effect of 3 alpha-hydroxylated pregnane steroids in male rats. Pharmacol Biochem Behav (1996) 0.93
Interaction of an amphiphilic peptide with a phospholipid bilayer surface by molecular dynamics simulation study. J Biomol Struct Dyn (1995) 0.91
Comparison of behavioral and central BDZ binding profile in three rat lines. Pharmacol Biochem Behav (1992) 0.91
Oxidation of carbon tetrachloride, bromotrichloromethane, and carbon tetrabromide by rat liver microsomes to electrophilic halogens. Life Sci (1982) 0.88
Molecular determinants of non-specific recognition of delta, mu, and kappa opioid receptors. Bioorg Med Chem (2001) 0.87
3D modeling, ligand binding and activation studies of the cloned mouse delta, mu; and kappa opioid receptors. Protein Eng (1999) 0.87
Homology modeling and substrate binding study of human CYP4A11 enzyme. Proteins (1999) 0.86
Differentiation of delta, mu, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties. J Comput Aided Mol Des (2001) 0.86
A 3D model of the delta opioid receptor and ligand-receptor complexes. Protein Eng (1996) 0.86
Influence of benzodiazepine binding site ligands on fear-conditioned contextual memory. Eur J Pharmacol (2001) 0.86
Development of a 3D pharmacophore for nonspecific ligand recognition of alpha1, alpha2, alpha3, alpha5, and alpha6 containing GABA(A)/benzodiazepine receptors. Bioorg Med Chem (2000) 0.85
Energy conformation study of Met-enkephalin and its D-Ala2 analogue and their resemblance to rigid opiates. Proc Natl Acad Sci U S A (1978) 0.85
The reaction of atomic oxygen with methanethiol. A theoretical study of the structures and the potential energy surface. Chem Phys Lett (1993) 0.85
Letter: Electronic structure and electric field gradients in oxyhemoglobin and -cytochrome P-450 model compounds. J Am Chem Soc (1975) 0.84
Investigation of the proton-assisted pathway to formation of the catalytically active, ferryl species of P450s by molecular dynamics studies of P450eryF. J Am Chem Soc (1996) 0.84
Evidence for mu1-opioid receptor involvement in fentanyl-mediated respiratory depression. Eur J Pharmacol (1996) 0.84
Molecular dynamics simulations of P450 BM3--examination of substrate-induced conformational change. J Biomol Struct Dyn (1999) 0.84
Molecular dynamics simulation of anesthetic-phospholipid bilayer interactions. J Biomol Struct Dyn (1995) 0.83
Characterization of low-energy conformational domains for Met-enkephalin. J Comput Aided Mol Des (1992) 0.82
Molecular determinants of benzodiazepine receptor affinities and anticonvulsant activities. Mol Pharmacol (1989) 0.82
Molecular models for recognition and activation at the benzodiazepine receptor: a review. Life Sci (1991) 0.81
Quantum chemical calculations on the two-step mechanism of proflavin binding to DNA. Ann N Y Acad Sci (1981) 0.81
Characterization of benzodiazepine receptors in the cerebellum. Prog Neuropsychopharmacol Biol Psychiatry (2000) 0.81
Molecular dynamics simulations of the resting and hydrogen peroxide-bound states of cytochrome c peroxidase. Biochemistry (1992) 0.81
Characterization of novel benzodiazepine ligands in Spodotera frugiperda (Sf-9) insect cells. Neurosci Lett (2001) 0.80
Quantum chemical studies of N-substituent variation in the oxymorphone series of opiate narcotics. J Med Chem (1978) 0.80
Determinants of recognition of ligands binding to benzodiazepine receptor/GABA(A) receptors initiating sedation. Eur J Pharmacol (2000) 0.80
Theoretical structure-activity studies of benzodiazepine analogues. Requirements for receptor affinity and activity. Mol Pharmacol (1984) 0.80
Molecular determinants of mu receptor recognition for the fentanyl class of compounds. Mol Pharmacol (1992) 0.80
Theoretical studies of cytochrome P-450. Characterization of stable and transient active states, reaction mechanisms and substrate-enzyme interactions. Enzyme (1986) 0.80
Homology modeling and substrate binding study of human CYP2C9 enzyme. Proteins (1999) 0.79
A role for Thr 252 in cytochrome P450cam oxygen activation. J Am Chem Soc (1994) 0.79
Theoretical study of model compound I complexes of horseradish peroxidase and catalase. Biophys J (1995) 0.79
Homology models of two isozymes of manganese peroxidase: prediction of a Mn(II) binding site. Proteins (1994) 0.79
Homology modeling of a heme protein, lignin peroxidase, from the crystal structure of cytochrome c peroxidase. Protein Eng (1992) 0.78
Metabolic activation and toxicity of acetaminophen and related analogs. A theoretical study. Mol Pharmacol (1985) 0.78
Unraveling the identity of benzodiazepine binding sites in rat hipppocampus and olfactory bulb. Eur J Pharmacol (2000) 0.78
Quantum chemical studies of methadone. J Med Chem (1976) 0.78
Development of a conformational search strategy for flexible ligands: a study of the potent mu-selective opioid analgesic fentanyl. J Comput Aided Mol Des (1991) 0.77
Evidence for central benzodiazepine receptor heterogeneity from behavior tests. Pharmacol Biochem Behav (1994) 0.77
Structure-activity studies of narcotic agonists and antagonists from quantum chemical calculations. NIDA Res Monogr (1978) 0.77
Effect of structural modifications in the C7-C11 region of the retinoid skeleton on biological activity in a series of aromatic retinoids. J Med Chem (1989) 0.77
Theoretical study of the flexibility and solution conformation of the cyclic opioid peptides [D-Pen2,D-Pen5]enkephalin and [D-Pen2,L-Pen5]enkephalin. Mol Pharmacol (1991) 0.77
A molecular model for an anionic opiate mu-receptor: affinity and activation of morphine conformers. Eur J Pharmacol (1991) 0.77
Characterization of the bioactive form and molecular determinants of recognition of cyclic enkephalin peptides at the delta-opioid receptor. Biopolymers (1993) 0.77
Computer-assisted mechanistic structure-activity studies: application to diverse classes of chemical carcinogens. Environ Health Perspect (1985) 0.77
Quantum chemical studies of molecular features and receptor interactions that modulate opiate agonist and antagonist activity. Ann N Y Acad Sci (1981) 0.77
Active site models of horseradish peroxidase compound I and a cytochrome P-450 analogue: electronic structure and electric field gradients. J Am Chem Soc (1977) 0.77
Quantum chemical studies of anaerobic reductive metabolism of halothane by cytochrome P-450. Chem Biol Interact (1980) 0.77
Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. I. Structures of acetic acid, glycine, H2SO4, H3PO4, Si(OH)4, Al(OH)4-. Int J Quantum Chem Quantum Biol Symp (1984) 0.77
Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. II. Structures and thermodynamics of the activated complex species. Orig Life Evol Biosph (1988) 0.77
Theoretical structure-activity studies of beta-carboline analogs. Requirements for benzodiazepine receptor affinity and antagonist activity. Mol Pharmacol (1985) 0.77
Homology modeling and substrate binding study of human CYP2C18 and CYP2C19 enzymes. Proteins (1999) 0.76
Analgesics 4. Studies on the effects of the introduction of methyl at C-17 of N-cyclopropylmethyl-normorphine: synthesis, receptor binding, in vivo activity, conformation energies. NIDA Res Monogr (1987) 0.76
Mechanistic structure-activity studies of peptide and nonpeptide flexible opioids: an interdisciplinary approach. NIDA Res Monogr (1986) 0.76
Correlation of calculated electronic parameters of fifteen aniline derivatives with their mutagenic potencies. J Environ Pathol Toxicol (1979) 0.76
Computer modeling of 3D structures of cytochrome P450s. Biochimie (1996) 0.76
Intramolecular hydrogen bonding and conformational studies of bridged thebaine and oripavine opiate narcotic agonists and antagonists. J Med Chem (1979) 0.76
Thermodynamics of ligand binding to the cloned delta-opioid receptor. Eur J Pharmacol (1996) 0.76
Refinement of 3D models of horseradish peroxidase isoenzyme C: predictions of 2D NMR assignments and substrate binding sites. Proteins (1996) 0.76
Molecular determinants of recognition and activation at the cerebellar benzodiazepine receptor site. Bioorg Med Chem (1994) 0.76
Analgesics. 1. Synthesis and analgesic properties of N-sec-alkyl- and N-tert-alkylnormorphines. J Med Chem (1978) 0.76
Characterization of the bioactive form of linear peptide antagonists at the omega-opioid receptor. Biopolymers (1996) 0.75
Structure-activity studies of beta-carboline analogs. Life Sci (1984) 0.75
Quantum chemical studies of the metabolism of polycyclic aromatic amines and the stabilities and electrophilicities of their arylnitrenium ions in relation to their mutagenic/carcinogenic potencies. Cancer Biochem Biophys (1979) 0.75
Quantum chemical studies of polycyclic aromatic hydrocarbons and their metabolites: correlations to carcinogenicity. Chem Biol Interact (1979) 0.75
Quantum chemical studies of methyl and fluoro analogs of chrysene: metabolic activation and correlation with carcinogenic activity. Cancer Biochem Biophys (1981) 0.75
Zinc selectively inhibits flux through benzodiazepine-insensitive gamma-aminobutyric acid chloride channels in cortical and cerebellar microsacs. Mol Pharmacol (1993) 0.75
Computer-assisted analysis of receptor-binding studies of [3H]-naloxone and [3H]-DADL: a reinterpretation of the Na+ effect. Life Sci (1983) 0.75
Evaluation of diastereomers of N-sec-butylnormorphine in a test of physical dependence. Proc West Pharmacol Soc (1978) 0.75
Base-pairing properties of O-methylated bases of nucleic acids. Energetic and steric considerations. Biophys Chem (1985) 0.75
Rational design, discovery, and synthesis of a novel series of potent growth hormone secretagogues. J Med Chem (2001) 0.75
Metabolism and relative carcinogenic potency of chloroethylenes: a quantum chemical structure-activity study. Chem Biol Interact (1983) 0.75
Nitrosamine carcinogen activation pathway determined by quantum chemical methods. Mol Toxicol (1988) 0.75
Metabolism and relative carcinogenic potency of chloroethanes: a quantum chemical structure-activity study. Cancer Biochem Biophys (1984) 0.75
Theoretical structure-activity studies of methyl-substituted 4-(m-OH phenyl) piperidines. NIDA Res Monogr (1986) 0.75
Structure, spectra, and function of model cytochrome P450. Ann N Y Acad Sci (1981) 0.75
Analgesics. 3. Synthesis, resolution, X-ray structure determination, receptor binding, and analgesic properties of 3-methyl-3-m-hydroxyphenylpiperidines with N-substituent variation. NIDA Res Monogr (1984) 0.75
Conformational studies of a family of related antimalarial phenanthrene amino alcohols. J Med Chem (1977) 0.75
Quantum chemical studies of a model for peptide bond formation. 3. Role of magnesium cation in formation of amide and water from ammonia and glycine. J Am Chem Soc (1984) 0.75
Quantum chemical study of the thermodynamics, kinetics of formation and bonding of H2CN: relevance to prebiotic chemistry. J Mol Evol (1974) 0.75
Selective effect on punished versus unpunished responding in a conflict test as the criterion for anxiogenic activity. Life Sci (1990) 0.75
Quantum chemical studies of the origin of agonist and antagonist activity in 3- and 4-phi piperidines. NIDA Res Monogr (1981) 0.75
Evidence for more than two central benzodiazepine receptors in rat spinal cord. Eur J Pharmacol (1992) 0.75
The novel antagonist profile of (-)metazocine. Prog Clin Biol Res (1990) 0.75
Quantum chemical study of the thermodynamics, kinetics of formation and bonding of H2CN: relevance to prebiotic chemistry. Orig Life (1975) 0.75
Opioid agonists binding and responses in SH-SY5Y cells. Life Sci (1992) 0.75
Novel mu-selective Met-enkephalinamide analogs with antagonist activity. Synthesis, receptor binding, analgesic properties and conformational studies. Int J Pept Protein Res (1987) 0.75
Conformation of hydrogen cyanide dimer and its role in chemical evolution. J Theor Biol (1971) 0.75
Molecular orbital calculations of the catalytic effect of lysozyme. I. Glu 35 as general acid catalyst. J Theor Biol (1972) 0.75
Quantum chemical studies of meperidine and prodine. J Med Chem (1975) 0.75
The electronic structure of chromyl chloride: a functional model for cytochrome P-450. J Am Chem Soc (1977) 0.75
A molecular orbital and chemical study of aminoacetonitrile: a possible prebiotic peptide precursor. J Theor Biol (1972) 0.75
Effects of addition of a 2-methyl group to ethyl nipecotates (beta-meperidines) on receptor affinities and opiate agonist/antagonist activities. J Med Chem (1988) 0.75
Quantum chemical study of relative reactivities of a series of amines and nitriles: relevance to prebiotic chemistry. J Mol Evol (1975) 0.75