G. Loew

发表

Interaction of an amphiphilic peptide with a phospholipid bilayer surface by molecular dynamics simulation study.

P. Huang, G. Loew, 1995, Journal of biomolecular structure & dynamics.

Molecular dynamics simulation of anesthetic-phospholipid bilayer interactions.

E. Bertaccini, P. Huang, G. Loew, 1995, Journal of biomolecular structure & dynamics.

Strategies for Indirect Computer-Aided Drug Design

H. Villar, G. Loew, I. Alkorta, 1993, Pharmaceutical Research.

Theoretical study of the product specificity in the hydroxylation of camphor, norcamphor, 5,5-difluorocamphor, and pericyclocamphanone by cytochrome P-450cam.

J. Collins, G. Loew, 1988, The Journal of biological chemistry.

Development of a 3D pharmacophore for nonspecific ligand recognition of α1, α2, α3, α5, and α6 containing gabaA/benzodiazepine receptors

M. Filizola, G. Loew, D. Harris, 2000 .

Atom based parametrization for a conformationally dependent hydrophobic index

H. Villar, G. Loew, Angelina Kantola, 1991 .

Development and assessment of a 3D pharmacophore for ligand recognition of BDZR/GABAA receptors initiating the anxiolytic response.

G. Loew, D. Harris, 2000, Bioorganic & medicinal chemistry.

Food palatability and hunger modulated effects of CGS 9896 and CGS 8216 on food intake

M. Davies, G. Loew, Shu-Wen Chen, 1995, Pharmacology Biochemistry and Behavior.

Benzodiazepine-Induced Hyperphagia: Development and Assessment of a 3D Pharmacophore By Computational Methods

M. Filizola, G. Loew, D. Harris, 2000, Journal of biomolecular structure & dynamics.

Binding of O2, NO, and CO to model active sites in ferrous heme proteins: Ligand geometry, electronic structure, and quadrupole splittings

G. Loew, R. Kirchner, 2009 .

Calculated ground-state properties and optical spectrum of model carbonylheme complexes

Z. Herman, G. Loew, M. Rohmer, 2009 .

Electronic structure and properties of model oxy and carboxy ferrous cytochrome P450: Comparison of semiempirical and ab-initio calculations

G. Loew, M. Rohmer, 2009 .

STRUCTURE, SPECTRA, AND FUNCTION OF MODEL CYTOCHROME P450

Z. Herman, A. Goldblum, G. Loew, 1981, Annals of the New York Academy of Sciences.

Semiempirical calculations of model deoxyheme. Variation of calculated electromagnetic properties with electronic configuration and distance of iron from the plane.

G. Loew, R. Kirchner, 1978, Biophysical journal.

Binding of 1,4-benzodiazepines to a novel [3H]Ro15-4513 binding site in the rat spinal cord.

M. Davies, G. Loew, P. Maguire, 1995, European journal of pharmacology.

A theoretical study of the electromagnetic properties of ferrocene and the ferrocenium ion

G. Loew, R. Kirchner, U. Mueller-Westerhoff, 1976 .

Structure of a Model Transient Peroxide Intermediate of Peroxidases by ab Initio Methods

M. Dupuis, G. Loew, 1996 .

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

G. Loew, D. Harris, 1996 .

An ab Initio Model System Investigation of the Proposed Mechanism for Activation of Peroxidases: Cooperative Catalytic Contributions from the Ion and Microsolvent Water

G. Loew, D. Woon, 1998 .

Quantum mechanical studies of the photodissociation of carbonylheme complexes

G. Loew, A. Waleh, 1982 .

QUANTUM CHEMICAL CALCULATIONS ON THE TWO‐STEP MECHANISM OF PROFLAVIN BINDING TO DNA *

G. Loew, G. Pack, G. Hashimoto, 1981, Annals of the New York Academy of Sciences.

THEORETICAL INVESTIGATION OF THE PROTON ASSISTED PATHWAY TO FORMATION OF CYTOCHROME P450 COMPOUND I

Gilda H. Loew, G. Loew, Danni L. Harris, 1998 .

Calculated and experimental absolute stereochemistry of the styrene and .beta.-methylstyrene epoxides formed by cytochrome P 450cam

P. Ortiz de Montellano, J. Collins, D. L. Camper, 1992 .

Binding of flexible ligands to proteins: Valproic acid and its interaction with cytochrome P450cam

T. Baillie, A. Rettie, G. Loew, 1993 .

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

G. Loew, D. Harris, 1996, Journal of the American Chemical Society.

Electronic structure of nitrosyl ferrous heme complexes

Gilda H. Loew, Lek Chantranupong, N. Ho, 1989 .

Quantum chemical studies of a model for peptide bond formation: formation of formamide and water from ammonia and formic acid

R. MacElroy, G. Loew, J. Binkley, 1982 .

Role of Protein Environment in Horseradish Peroxidase Compound I Formation: Molecular Dynamics Simulations of Horseradish Peroxidase−HOOH Complex

M. Filizola, G. Loew, 2000 .

Homology modeling of a heme protein, lignin peroxidase, from the crystal structure of cytochrome c peroxidase.

J. Collins, G. Loew, P. Du, 1992, Protein engineering.

Theoretical Studies of Cytochrome P-450

B. Luke, J. Collins, G. Loew, 1986 .

Theoretical studies of cytochrome P-450. Characterization of stable and transient active states, reaction mechanisms and substrate-enzyme interactions.

B. Luke, J. Collins, G. Loew, 1986, Enzyme.

Quantum chemical studies of anaerobic reductive metabolism of halothane by cytochrome P-450.

A. Goldblum, G. Loew, 1980, Chemico-biological interactions.

Theoretical investigations of the anaerobic reduction of halogenated alkanes by cytochrome P 450. 1. Structures, inversion barriers, and heats of formation of halomethyl radicals

A. D. McLean, B. Luke, G. Loew, 1987 .

A molecular model for an anionic opiate mu-receptor: affinity and activation of morphine conformers.

A. Goldblum, G. Loew, 1991, European journal of pharmacology.

Metabolic activation and toxicity of acetaminophen and related analogs. A theoretical study.

A. Goldblum, G. Loew, 1985, Molecular pharmacology.

The hyperphagic effect of 3α-hydroxylated pregnane steroids in male rats

M. Davies, G. Loew, Shu-Wen Chen, 1996, Pharmacology Biochemistry and Behavior.

A theoretical investigation of the magnetic and ground-state properties of model oxyhemoglobin complexes

Z. Herman, G. Loew, 1980 .

Theoretical investigations of terminal alkenes as putative suicide substrates of cytochrome P-450

A. D. McLean, B. Luke, J. Collins, 1990 .

THEORETICAL AND EXPERIMENTAL ANALYSIS OF THE ABSOLUTE STEREOCHEMISTRY OF CIS-BETA -METHYLSTYRENE EPOXIDATION BY CYTOCHROME P450CAM

J. Collins, D. L. Camper, G. Loew, 1991 .

Active site models of horseradish peroxidase compound I and a cytochrome P-450 analogue: electronic structure and electric field gradients.

G. Loew, L. Hjelmeland, R. Kirchner, 1977, Journal of the American Chemical Society.

Pharmacological profiles of fentanyl analogs at μ, δ and κ opiate receptors

G. Loew, P. Maguire, C. Cometta-Morini, 1992 .

Pharmacological profiles of fentanyl analogs at mu, delta and kappa opiate receptors.

G. Loew, P. Maguire, C. Cometta-Morini, 1992, European journal of pharmacology.

Energy-conformation studies of HCN, HNC and CN−: A comparison of results from EH-SCC and SCF molecular orbital calculations

G. Loew, 1971 .

Quantum mechanical study of putative intermediates in adduct formation by the suicide substrate ethylene with cytochrome P-450

B. Luke, J. Collins, G. Loew, 2009 .

Theoretical study of model compound I complexes of horseradish peroxidase and catalase.

G. Loew, P. Du, 1995, Biophysical journal.

Calculated electronic spectra of model ferric cytochrome P450 complexes

M. Zerner, J. Collins, G. Loew, 1986 .

Electronic spectra and structure of bis(ethylene-1,2-dithiolato)nickel and bis-(propene-3-thione-1-thiolato)nickel

M. Zerner, Z. Herman, G. Loew, 1982 .

Assessment of δ-opioid receptor activation by a series of peptides in cultured cells

G. Loew, B. Hoffman, E. Costa, 2009 .

Properties of selective type I benzodiazepine receptor ligands

H. Villar, G. Loew, 1991 .

Spin density distribution in oxygen-liganded model heme proteins: Predictions of 17O hyperfine broadening of ESR spectra of metmyoglobin, cytochrome c peroxidase, catalase, and cytochrome P450

J. Collins, G. Loew, A. Waleh, 1987 .

Application of molecular orbital theory to the interpretation of mass spectra study of substituent effect on a series of acetophenones

G. Loew, J. Lawless, R. Kirchner, 1976 .

Molecular orbital calculation of hyperfine interactions, electric field gradient and quadrupole splitting in reduced rubredoxins

G. Loew, D. Y. Lo, 1974 .

Calculated properties of the active site complex of oxidized rubredoxins

G. Loew, David D. Lo, 1974 .

Molecular orbital calculations of the active site complex of two iron ferredoxins

G. Loew, D. A. Steinberg, 1971 .

Determinants of the spin state of the resting state of cytochrome P450cam

G. Loew, D. Harris, 1993 .

Quantum chemical studies of model cytochrome P450 hydrocarbon oxidation mechanisms II. Mechanisms and relative kinetics of oxene reactions with alkenes

G. Loew, A. Pudzianowski, 1982 .

Energy conformation study of Met-enkephalin and its D-Ala2 analogue and their resemblance to rigid opiates.

G. Loew, S. Burt, 1978, Proceedings of the National Academy of Sciences of the United States of America.

3D modeling, ligand binding and activation studies of the cloned mouse delta, mu; and kappa opioid receptors.

M. Filizola, G. Loew, L. Laakkonen, 1999, Protein engineering.

Structure, spectra, and function of heme sites

G. Loew, 2000 .

A role for Thr 252 in cytochrome P450cam oxygen activation.

G. Loew, D. Harris, 1994, Journal of the American Chemical Society.

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

G. Loew, D. Harris, 1993 .

Theoretical study on the electronic spectra of model compound II complexes of peroxidases

M. Zerner, G. Loew, F. U. Axe, 1991 .

The rotational spectra of HCNH/+/ and COH/+/ from quantum mechanical calculations

A. D. McLean, G. Loew, D. Defrees, 1982 .

Mechanistic studies of oxene reactions with organic substrates: Reaction paths onMNDO enthalpy surfaces?models for cytochrome P450 oxidations

G. Loew, A. Pudzianowski, 1983 .

A theoretical investigation of the first step in the metabolic reduction of halogenated methanes by cytochrome P-450

B. Luke, G. Loew, 2009 .

A 3D model of the δ opioid receptor and ligand-receptor complexes

G. Loew, I. Alkorta, 1996 .

Electronic structure, geometry, and energetics of carbanion and carbocation of [1.1]ferrocenophane: An INDO study

G. Loew, U. Mueller-Westerhoff, A. Waleh, 1984 .

Opioid agonists binding and responses in SH-SY5Y cells.

G. Loew, E. Costa, B. Hoffmann, 1992, Life sciences.

A theoretical investigation of the magnetic and ground-state properties of model oxyhemoglobin complexes

Z. Herman, G. Loew, 1980 .

Comparative study of semiempirical methods for calculating interactions between large molecules with an application to the actinomycin—Guanine complex

K. Morokuma, G. Loew, S. Yamabe, 2009 .

THEORETICAL STUDY OF THE ELECTROMAGNETIC PROPERTIES OF BIS(FULVALENE)DIIRON IN ITS THREE OXIDATION STATES

G. Loew, R. Kirchner, U. Mueller-Westerhoff, 1976 .

Characterization of novel benzodiazepine ligands in Spodotera frugiperda (Sf-9) insect cells

G. Loew, J. Lameh, D. Clark, 2001, Neuroscience Letters.

Role of axial ligand in the electronic structure of model compound I complexes

G. Loew, P. Du, 1992 .

ACTIVE SITE MODELS OF HORSERADISH PEROXIDASE COMPOUND I AND A CYTOCHROME P-450 ANALOG- ELECTRONIC STRUCTURE AND ELECTRIC FIELD GRADIENTS

G. Loew, L. Hjelmeland, R. Kirchner, 1977 .

Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia‐Glycine reactions

R. MacElroy, G. Loew, S. Burt, 1983 .

Energy-conformation studies of hydrogen cyanide tetramer: A prebiotic precursor

G. Loew, Sherwood Chang, 1972 .

Molecular orbital calculations of the active site complex of two iron ferredoxins

G. Loew, D. A. Steinberg, 1972 .

The electronic structure of peracids. Functional models for cytochrome p-450

G. Loew, L. Hjelmeland, 1977 .

The origins of sequence specificity of ethidium nucleic acid intercalation

G. Loew, G. Pack, 2009 .

Rational design, discovery, and synthesis of a novel series of potent growth hormone secretagogues.

K. Inoguchi, G. Loew, P. Huang, 2001, Journal of medicinal chemistry.

Thioanisole Sulfoxidation by Cytochrome P450cam (CYP101): Experimental and Calculated Absolute Stereochemistries

J. Collins, G. Loew, J. Fruetel, 1994 .

Oxidation of carbon tetrachloride, bromotrichloromethane, and carbon tetrabromide by rat liver microsomes to electrophilic halogens.

G. Loew, L. Pohl, R. Branchflower, 1982, Life sciences.

Pyrazolo[1,5-a]pyrimidines: Receptor binding and anxiolytic behavioral studies

G. Loew, E. Uyeno, L. Toll, 1984, Pharmacology Biochemistry and Behavior.

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

G H Loew, G. Loew, D L Harris, 2000, Chemical reviews.

Quantum chemical calculations of flexible opiate narcotics: Methadone, meperidine, and prodines

G. Loew, J. Jester, D. Berkowitz, 2009 .

Theoretical studies of high-, intermediate-, and low-spin model heme complexes

G. Loew, F. U. Axe, A. Waleh, 1989 .

Computer-assisted mechanistic structure-activity studies: application to diverse classes of chemical carcinogens.

G H Loew, J. Ferrell, G. Loew, 1985, Environmental health perspectives.

An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene

Michael C. Zerner, Gilda H. Loew, M. Zerner, 1980 .

Structures and spectra of the isomers HNCO, HOCN, HONC, and HCNO from ab initio quantum mechanical calculations

A. D. McLean, G. Loew, D. Berkowitz, 1977 .

An INDO study of [1.1]ferrocenophane as a catalyst for hydrogen liberation from aqueous acidic media

G. Loew, U. Mueller-Westerhoff, A. Waleh, 1984 .

Solid-state stereochemistry of nefopam hydrochloride, a benzoxazocine analgesic drug

G. Frenking, S. Cohen, G. Loew, 1989 .

Quantum chemical study of the thermodynamics, kinetics of formation and bonding of H2CN: Relevance to prebiotic chemistry

G. Loew, S. Chang, S. Chang, 1974, Journal of Molecular Evolution.

Quantum chemical study of the thermodynamics, kinetics of formation and bonding of H2CN relevance to prebiotic chemistry

G. Loew, S. Chang, S. Chang, 2005, Origins of life.

Quantum chemical study of HCN dimer and its role in chemical evolution

G. Loew, S. Chang, S. Chang, 1971 .

Structure/activity studies of flavonoids as inhibitors of cyclic AMP phosphodiesterase and relationship to quantum chemical indices.

J. M. Mansour, J E Ferrell, J. Ferrell, 1979, Molecular pharmacology.

Evidence for central benzodiazepine receptor heterogeneity from behavior tests

M. Davies, G. Loew, E. Onaivi, 1994, Pharmacology Biochemistry and Behavior.

Comparison of behavioral and central BDZ binding profile in three rat lines

M. Davies, G. Loew, E. Onaivi, 1992, Pharmacology Biochemistry and Behavior.

Conformational studies of a family of related antimalarial phenanthrene amino alcohols.

G. Loew, R. Sahakian, 1977, Journal of medicinal chemistry.

Quantum chemical studies of aflatoxins: Metabolism and carcinogenic activity

G. Loew, M. Poulsen, M. Poulsen, 1981 .

Semiempirical MNDO/H calculations of opiates

A. Goldblum, O. Deeb, G. Loew, 1990 .

Effect of structural modifications in the C7-C11 region of the retinoid skeleton on biological activity in a series of aromatic retinoids.

G. Frenking, M. Dawson, G. Loew, 1989, Journal of medicinal chemistry.

Characterization of the bioactive form of linear peptide antagonists at the δ‐opioid receptor

Juan J. Perez, Gilda H. Loew, G. Loew, 1996 .

Homology Modeling of Horseradish Peroxidase

G. Loew, Andrew T. Smith, P. Du, 1995 .

Analgesics. 1. Synthesis and analgesic properties of N-sec-alkyl- and N-tert-alkylnormorphines.

J. Lawson, G. Loew, E. Uyeno, 1978, Journal of medicinal chemistry.

Theoretical investigation of the role of clay edges in prebiotic peptide bond formation

B. Luke, J. Collins, G. Loew, 1988, Origins of life and evolution of the biosphere.

Mechanistic studies of addition of nucleophiles to arene oxides and diol epoxides: Candidate ultimate carcinogens

J. Ferrell, G. Loew, A. Pudzianowski, 2009 .

Quantum chemical studies of polycyclic aromatic hydrocarbons and their metabolites: correlations to carcinogenicity.

J. Ferrell, G. Loew, B. S. Sudhindra, 1979, Chemico-biological interactions.

INTERACTION OF A MODEL OPIATE ANIONIC RECEPTOR SITE WITH N-SUBSTITUENTS OF RIGID OPIATES: PCILO ENERGY CALCULATIONS

G. Loew, S. Burt, 1980 .

Quantum chemical studies of methylbenz[a]anthracenes: metabolism and correlations with carcinogenicity.

J. Ferrell, G. Loew, M. Poulsen, 1980, Chemico-biological interactions.

Aromatic amine carcinogenesis: Activation and interaction with nucleic acid bases

R. MacElroy, G. Loew, S. Burt, 2009 .

Quantum Chemical Studies of Morphine-Like Opiate Narcotics: Effect of Polar Group Variations

H. Weinstein, G. Loew, S. Srebrenik, 1974 .

Models for the enzymatically active state of cytochrome p-450

G. Loew, L. Hjelmeland, R. Kirchner, 2009 .

Mechanistic studies of arene oxide and diol epoxide rearrangement and hydrolysis reactions

J. Ferrell, G. Loew, 1979 .

Identification of the Binding Site on Cytochrome P450 2B4 for Cytochrome b 5 and Cytochrome P450 Reductase*

I. Vakser, L. Waskell, A. Bridges, 1998, The Journal of Biological Chemistry.

Reaction Mechanisms of Formaldehyde with Endocyclic Imino Groups of Nucleic Acid Bases

G. Loew, Yan‐Tyng Chang, 1994 .

Thermodynamic analysis of binding to the cerebellar type I benzodiazepine receptor.

H. Villar, M. Davies, G. Loew, 1992, European journal of pharmacology.

Candidate interstellar molecules formed from ion-molecule reactions of NO

G. Loew, Sherwood Chang, D. Berkowitz, 1978 .

HNO+ and NOH+ Potential energy surfaces for the lowest two electronic states. including the barrier to isomerization

A. D. McLean, G. Loew, D. Berkowitz, 1978 .

Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia‐formic acid and ammonia‐glycine reactions

R. MacElroy, G. Loew, J. Binkley, 2009 .

The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations

A. D. McLean, G. Loew, D. Defrees, 1982 .

Mechanistic structure—Activity studies of carcinogenic dialkylnitrosamines

G. Loew, D. Spangler, M. Poulsen, 2009 .

Theoretical structure-activity studies of benzodiazepine analogues. Requirements for receptor affinity and activity.

G H Loew, G. Loew, M Poulsen, 1984, Molecular pharmacology.

Theoretical studies of the oxidation of N- and S-containing compounds by cytochrome P450

G. Loew, Yan‐Tyng Chang, 1993 .

Theoretical investigation of the anaerobic reduction of halogenated alkanes by cytochrome P-450. 2. Vertical electron affinities of chlorofluoromethanes as a measure of their activity

A. D. McLean, B. Luke, G. Loew, 1988 .

Conformation of hydrogen cyanide dimer and its role in chemical evolution.

G. Loew, 1971, Journal of theoretical biology.

Semiempirical studies of the mechanism of models for the N‐hydroxylation of amines by cytochrome P450

G. Loew, G. Pack, 2009 .

The barrier to linearity in the HNCO molecule

A. D. McLean, G. Loew, D. Berkowitz, 1978 .

A theoretical examination of substituent effects on the detoxification reaction between glutathione and halogenated methanes

A. D. McLean, B. Luke, G. Loew, 1986 .

The reaction of atomic oxygen with methanethiol. A theoretical study of the structures and the potential energy surface.

G. Loew, Chang Y-T, 1993, Chemical physics letters.

Origins of the specificity in the intercalation of ethidium into nucleic acids. A theoretical analysis.

G. Loew, G. Pack, 1978, Biochimica et biophysica acta.

Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors

Marta Filizola, Hugo O. Villar, Silvina M. Tasso, 2001, J. Comput. Chem..

Thermodynamics of ligand binding to the cloned δ-opioid receptor

Gilda H. Loew, P. A. Maguire, G. Loew, 1996 .

Quantum chemical studies of morphine-like opiate narcotics. Effect of N-substituent variations.

G H Loew, G. Loew, D S Berkowitz, 1975, Journal of medicinal chemistry.

Quantum chemical studies of the metabolism of the inhalation anesthetics methoxyflurane, enflurane, and isoflurane.

J. Trudell, G. Loew, E. Cohen, 1974, Molecular pharmacology.

Base-pairing properties of O-methylated bases of nucleic acids. Energetic and steric considerations.

G. Loew, A. Pohorille, 1985, Biophysical chemistry.

Homology models of two isozymes of manganese peroxidase: Prediction of a Mn(II) binding site

G. Loew, Forrester Johnson, Ping Du, 1994, Proteins.

A comparative analysis of the active site properties of the resting states of cytochrome c peroxidase, metmyoglobin, and catalase

G. Loew, F. U. Axe, A. Waleh, 1989 .

Molecular models for recognition and activation at the benzodiazepine receptor: a review.

G H Loew, H O Villar, M F Davies, 1991, Life sciences.

Excited electronic states of the ethidium cation.

G. Loew, B. Hudson, A. Waleh, 1976, Biopolymers.

Molecular determinants of recognition and activation at the cerebellar benzodiazepine receptor site.

G. Loew, J. Pérez, L. Schove, 1994, Bioorganic & medicinal chemistry.

Resolving receptor heterogeneity using Fourier-derived affinity spectrum analysis and LIGAND: benzodiazepine receptors in the rat spinal cord.

M. Davies, D. Meredith, J. Mechanick, 1995, The Journal of pharmacology and experimental therapeutics.

3D modeling, ligand binding and activation studies of the cloned mouse δ, μ and κ opioid receptors

Marta Filizola, Liisa Laakkonen, Gilda H. Loew, 1999 .

Metabolism and relative carcinogenic potency of chloroethylenes: a quantum chemical structure-activity study.

G. Loew, M. Rebagliati, E. Kurkjian, 1983, Chemico-biological interactions.

Evidence for mu1-opioid receptor involvement in fentanyl-mediated respiratory depression.

G H Loew, M F Davies, M. Davies, 1996, European journal of pharmacology.

Homology modeling and substrate binding study of human CYP2C9 enzyme

G. Loew, Vilia Ann Payne, Yan‐Tyng Chang, 1999, Proteins.

Prediction of Regiospecific Hydroxylation of Camphor Analogs by Cytochrome P450cam

G. Loew, D. Harris, 1995 .

Applications of molecular orbital theory to the interpretation of mass spectra. Prediction of primary fragmentation sites in organic molecules

Dennis H. Smith, G. Loew, M. Chadwick, 1973 .

Molecular orbital calculations of the catalytic effect of lysozyme. I. Glu 35 as general acid catalyst.

D. D. Thomas, G. Loew, 1972, Journal of theoretical biology.

Molecular dynamics simulations of phospholipid bilayers.

P. Huang, G. Loew, J. J. Pérez, 1994, Journal of biomolecular structure & dynamics.

Interaction of metal ions and nucleotides: possible mechanisms for the adsorption of nucleotides on homoionic bentonite clays

R. MacElroy, P. Liebmann, G. Loew, 1982 .

Computer modeling of 3D structures of cytochrome P450s.

O. Stiffelman, Y. Chang, G. Loew, 1996, Biochimie.

Ab initio SCF studies of interactions of lithium(+), sodium(+), beryllium(2+), and magnesium(2+) ions with dihydrogen phosphate(-) ion: model for cation binding to nucleic acids

A. D. McLean, P. Liebmann, G. Loew, 1982 .

Evidence for α-keto-enol tautomerism in reduced acetylisoalloxazines

R. A. Goldbeck, G. Loew, 1986 .

Semiempirical calculations of model oxyheme: Variation of calculated electromagnetic properties with electronic configuration and oxygen geometry.

G H Loew, G. Loew, R F Kirchner, 1977, Journal of the American Chemical Society.

Comparison of computational models for simulating heme proteins: A study of cytochrome C peroxidase

J. Collins, G. Loew, 1992 .

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

M. Filizola, G. Loew, D. Harris, 2000, Bioorganic & Medicinal Chemistry.

A behaviorally selective class of thiophene-containing benzodiazepine receptor ligands.

M. Davies, G. Loew, P. Maguire, 1995, Bioorganic & medicinal chemistry.

Characterization of benzodiazepine receptors in the cerebellum

S. Shafer, D. Meredith, G. Loew, 2000, Progress in Neuro-Psychopharmacology and Biological Psychiatry.

Unraveling the identity of benzodiazepine binding sites in rat hipppocampus and olfactory bulb.

S L Shafer, G H Loew, S. Shafer, 2000, European journal of pharmacology.

Quantum chemical studies of methadone.

G. Loew, D. Berkowitz, R. C. Newth, 1976, Journal of medicinal chemistry.

Intramolecular hydrogen bonding and conformational studies of bridged thebaine and oripavine opiate narcotic agonists and antagonists.

G. Loew, D. Berkowitz, 1979, Journal of medicinal chemistry.

Magnetic circular dichroism. 65. Sign variation in the magnetic circular dichroism spectra of free-base porphyrins having a single .pi.-acceptor pyrrole ring substituent. Structure implications

R. A. Goldbeck, C. Djerassi, C. Crandell, 1984 .

Magnetic Circular Dichroism. Part 65. Sign Variation in the Magnetic Circular Dichroism Spectra of Free-Base Porphyrins Having a Single n-Acceptor Pyrrole Ring Substituent. Structure Implications

R. A. Goldbeck, C. Djerassi, C. Crandell, 1984 .

Influence of benzodiazepine binding site ligands on fear-conditioned contextual memory.

R. Lin, T. Delorey, G. Loew, 2001, European journal of pharmacology.

Evidence for more than two central benzodiazepine receptors in rat spinal cord.

H. Villar, M. Davies, G. Loew, 1992, European journal of pharmacology.

Molecular determinants of benzodiazepine receptor affinities and anticonvulsant activities.

H. Villar, M. Davies, G. Loew, 1989, Molecular pharmacology.

Molecular orbital studies of the conformation of peroxyacetic acid

G. Loew, L. Hjelmeland, 1975 .

Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. I. Structures of acetic acid, glycine, H2SO4, H3PO4, Si(OH)4, and Al(OH) 4−

B. Luke, Abha G. Gupta, G. Loew, 1984 .

Letter: Electronic structure and electric field gradients in oxyhemoglobin and -cytochrome P-450 model compounds.

G. Loew, R. Kirchner, 1975, Journal of the American Chemical Society.

Characterization of low-energy conformational domains for Met-enkephalin

Hugo O. Villar, Gilda H. Loew, Juan J. Perez, 1992, J. Comput. Aided Mol. Des..

Theoretical study of the flexibility and solution conformation of the cyclic opioid peptides [D-Pen2,D-Pen5]enkephalin and [D-Pen2,L-Pen5]enkephalin.

G H Loew, H O Villar, H. Villar, 1991, Molecular pharmacology.

Conformational and electronic properties of met-enkephalin

H. Villar, G. Loew, J. J. Pérez, 1991 .

Calculated optical spectrum of model oxyheme complex

M. Zerner, Z. Herman, G. Loew, 1980 .

Molecular determinants of mu receptor recognition for the fentanyl class of compounds.

G H Loew, G. Loew, P A Maguire, 1992, Molecular pharmacology.

Calculated triplet state energies of carbonylheme complexes: relevance to photodissociation and postulated paramagnetic component

G. Loew, A. Waleh, 1982 .

STRUCTURE AND SPECTRA OF STABLE AND TRANSIENT STATES AND MECHANISMS OF OXIDATION OF MODEL CYTOCHROME P-450

G. Loew, D. Spangler, A. Pudzianowski, 1982 .

Quantum chemical study of relative reactivities of a series of amines and nitriles: Relevance to prebiotic chemistry

G. Loew, D. Berkowitz, S. Chang, 1975, Journal of Molecular Evolution.

Quantum chemical studies of a model for peptide bond formation. 2. Role of amine catalyst in formation of formamide and water from ammonia and formic acid

R. MacElroy, G. Loew, S. Burt, 1983 .

Calculated spin densities and quadrupole splitting for model horseradish peroxidase compound I: evidence for iron(IV) porphyrin (S = 1) .pi. cation radical electronic structure

Z. Herman, G. Loew, 1980 .

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

M. Dupuis, G. Loew, D. Harris, 1997 .

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

L. Waskell, G. Loew, G Loew, 2001, Journal of inorganic biochemistry.

Molecular dynamics simulations of P450 BM3--examination of substrate-induced conformational change.

Y. Chang, G. Loew, 1999, Journal of biomolecular structure & dynamics.

Quantum chemical studies of meperidine and prodine.

G. Loew, J. Jester, 1975, Journal of medicinal chemistry.

Quantum chemical studies of N-substituent variation in the oxymorphone series of opiate narcotics.

G. Loew, D. Berkowitz, 1978, Journal of medicinal chemistry.

A molecular orbital and chemical study of aminoacetonitrile: a possible prebiotic peptide precursor.

G H Loew, G. Loew, M. S. Chadha, 1972, Journal of theoretical biology.

Interaction of metal ions and amino acids - Possible mechanisms for the adsorption of amino acids on homoionic smectite clays

Abha G. Gupta, G. Loew, J. Lawless, 1983 .

Putative benzodiazepine partial agonists demonstrate receptor heterogeneity

M. Davies, HENRY A. Chen, G. Loew, 1996, Pharmacology Biochemistry and Behavior.

The use of computer analysis in describing multiple opiate receptors

G. Loew, L. Toll, W. Polgar, 1984, Neuropeptides.

QUANTUM-CHEMICAL STUDIES OF MODEL CYTOCHROME P450 HYDROCARBON OXIDATION MECHANISMS. 1. A MINDO/3 STUDY OF HYDROXYLATION AND EPOXIDATION PATHWAYS FOR METHANE AND ETHYLENE

G. Loew, A. Pudzianowski, 1980 .

Kinked DNA. Energetics and conditions favoring its formation.

G. Loew, M. Muskavitch, G. Pack, 1977, Biochimica et biophysica acta.

Homology modeling and substrate binding study of human CYP4A11 enzyme

G. Loew, Yan‐Tyng Chang, 1999 .

Steric and electronic criteria for teratogenicity of short chain aliphatic acids

J. Collins, D. L. Camper, G. Loew, 1990 .

ENERGY‐CONFORMATION STUDIES OF FREQUENCY OF β‐TURNS IN TETRAPEPTIDE SEQUENCES

G. Loew, S. Burt, W. Anderson, 2009 .

Quantum chemical studies of model cytochrome P450 oxidations of amines. 1. MNDO pathways for alkylamine reactions with singlet and triplet oxygen

A. Goldblum, G. Loew, 1985 .

Differentiation of δ, μ, and κ opioid receptor agonists based on pharmacophore development and computed physicochemical properties

Marta Filizola, Hugo O. Villar, Gilda H. Loew, 2001, J. Comput. Aided Mol. Des..

SEMIEMPIRICAL CALCULATIONS OF MODEL OXYHEME- VARIATION OF CALCULATED ELECTROMAGNETIC PROPERTIES WITH ELECTRONIC CONFIGURATION AND OXYGEN GEOMETRY

G. Loew, R. Kirchner, 1977 .

Cytochrome P450 mediated aromatic oxidation: a theoretical study

W. Trager, K. Korzekwa, G. Loew, 1985 .

A MOLECULAR ORBITAL STUDY OF MODEL CYTOCHROME P450 OXIDATION OF TETRACHLOROMETHANE AND TRICHLOROMETHANE

G. Loew, L. Pohl, R. Branchflower, 1983 .

Theoretical Study of the Electronic Spectra of a Polycyclic Aromatic Hydrocarbon, Naphthalene, and its Derivatives

G. Loew, Farid Salama, P. Du, 1993 .

QUANTUM CHEMICAL STUDIES OF NOVEL 4-PHENYLPIPERIDINE OPIATES WITH ANTAGONIST ACTIVITY

G. Loew, S. Burt, 1980 .

Structural and electronic requirements for binding at the Mu–opioid receptor

G. Loew, C. Cometta-Morini, 1992 .

Molecular dynamics simulations of the resting and hydrogen peroxide-bound states of cytochrome c peroxidase.

J. Collins, G. Loew, P. Du, 1992, Biochemistry.

Homology modeling and substrate binding study of human CYP2C18 and CYP2C19 enzymes

G H Loew, G. Loew, Y T Chang, 1999, Proteins.

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

Gilda H. Loew, G. Loew, Danni L. Harris, 2001 .

Refinement of 3D models of horseradish peroxidase isoenzyme C: Predictions of 2D NMR assignments and substrate binding sites

G. Loew, Andrew T. Smith, Daqing Zhao, 1996, Proteins.

Molecular modulators of benzodiazepine receptor ligand binding

H. Villar, G. Loew, 2009 .

Construction of a 3D model of cytochrome P450 2B4.

G H Loew, I. Vakser, O. Stiffelman, 1997, Protein engineering.

A conformational study of cocaine and its diastereomers

H. Villar, G. Loew, 1990 .

Determinants of recognition of ligands binding to benzodiazepine receptor/GABA(A) receptors initiating sedation.

T. Delorey, G. Loew, J. Cook, 2000, European journal of pharmacology.

Selective effect on punished versus unpunished responding in a conflict test as the criterion for anxiogenic activity.

M. Davies, G. Loew, E. Uyeno, 1990, Life Science.

Valproic acid metabolism by cytochrome P450 : a theoretical study of stereoelectronic modulators of product distribution

Jack R. Collins, Gilda H. Loew, J. Collins, 1991 .

ELECTRONIC CONFIGURATION AND ELECTROMAGNETIC PROPERTIES OF ACTIVE SITE MODELS FOR OXIDIZED AND REDUCED PLANT-TYPE FERREDOXINS

G. Loew, D. Y. Lo, 1978 .

Theoretical investigation of the role of clay edges in prebiotic peptide bond formation

B. Luke, J. Collins, G. Loew, 1988, Origins of life and evolution of the biosphere.

Nonlinear magnetic behavior of five high-spin ferric heme compounds

G. Loew, 1972 .

Magnetic properties of some high spin ferric heme compounds.

G. Loew, 1971, Biochimica et biophysica acta.

Effect of fluorination of camphor on its binding orientation in p450cam

J. Collins, G. Loew, 1990 .

A 3D model of the delta opioid receptor and ligand-receptor complexes.

G. Loew, I. Alkorta, 1996, Protein engineering.