UB Paderborn / Katalog / Suche / in CDI

Tumeur desmoïde de la plèvre : un diagnostic possible en imagerie ?

Feuillets de radiologie, 2012-06, Vol.52 (3), p.123-130

2012

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Dissociative Electron Attachment to Formamide: Direct and Indirect Pathways from Resonant Intermediates

Journal of chemical theory and computation, 2009-01, Vol.5 (1), p.217-221

2009

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Ab Initio Analysis of Water-Assisted Reaction Mechanisms in Amide Hydrolysis

Journal of the American Chemical Society, 1994-05, Vol.116 (9), p.3912-3921

1994

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Quantum mechanical computations on very large molecular systems: The local self-consistent field method

Journal of computational chemistry, 1994-03, Vol.15 (3), p.269-282

1994

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Tumeur desmoïde de la plèvre : un diagnostic possible en imagerie ?

Feuillets de radiologie, 2012-06, Vol.52 (3), p.178-178

2012

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Solvent effect on intramolecular hydrogen bonds in push-pull conjugated molecules

International journal of quantum chemistry, 2004, Vol.96 (3), p.273-281

2004

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Constitutive dimerization of human serotonin 5‐HT4 receptors in living cells

FEBS letters, 2005-06, Vol.579 (14), p.2973-2980

2005

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Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. II. Charge separation processes

The Journal of chemical physics, 1997-03, Vol.106 (9), p.3643-3657

1997

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Electrostatic interactions in peptides. Polarisation effects due to an α-helix

Theoretical chemistry accounts, 2004-03, Vol.111 (2-6), p.328-334

2004

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Design and Synthesis of Specific Probes for Human 5-HT4 Receptor Dimerization Studies

Journal of medicinal chemistry, 2005-10, Vol.48 (20), p.6220-6228

2005

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NDDO fragment self-consistent field approximation for large electronic systems

Journal of computational chemistry, 1992-09, Vol.13 (7), p.830-837

1992

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Synthesis and Characterization of the First Fluorescent Antagonists for Human 5-HT4 Receptors

Journal of medicinal chemistry, 2003-06, Vol.46 (13), p.2606-2620

2003

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Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method

Journal of computational chemistry, 2002-04, Vol.23 (6), p.610-624

2002

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Fast geometry optimization in self-consistent reaction field computations on solvated molecules

Journal of computational chemistry, 1992-07, Vol.13 (6), p.675-680

1992

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Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)

Journal of the American Chemical Society, 1991-07, Vol.113 (16), p.6256-6265

1991

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New insights into the human 5‐HT4 receptor binding site: exploration of a hydrophobic pocket

British journal of pharmacology, 2004-10, Vol.143 (3), p.361-370

2004

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Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method

Chemical physics letters, 1996-12, Vol.263 (1), p.100-106

1996

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Electronic descriptors in quantitative structure—activity relationships

Chemometrics and intelligent laboratory systems, 1987-10, Vol.1 (4), p.335-347

1987

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Reaction field factors for a multipole distribution in a cavity surrounded by a continuum

Chemical physics letters, 1993, Vol.202 (1), p.18-22

1993

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Modification of the local self-consistent field method for modeling surface reactivity of covalent solids

International journal of quantum chemistry, 1996, Vol.60 (7), p.1525-1536

1996

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Conformational equilibrium of 1,2-dichloroethane in methylchloride. A Monte Carlo simulation of the differential gauche-anti solvation

The Journal of chemical physics, 1985-01, Vol.83 (6), p.3083-3094

1985

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Two transmembrane Cys residues are involved in 5-HT sub(4) receptor dimerization

Biochemical and biophysical research communications, 2007-05, Vol.356 (3), p.642-647

2007

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Solvent effects of molecular geometries and isomerization processes : a study of push-pull ethylenes in solution

Journal of the American Chemical Society, 1993-05, Vol.115 (9), p.3722-3730

1993

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Static dielectric constant density and temperature dependence for the tips model of liquid methyl chloride

Chemical physics letters, 1989-08, Vol.160 (2), p.228-232

1989

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Molecular dynamics simulation of conformational equilibrium of 1,2-dichloroethane

Journal of molecular liquids, 1989-11, Vol.43, p.1-11

1989

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Tumeur desmoïde de la plèvre : un diagnostic possible en imagerie ?

Dissociative Electron Attachment to Formamide: Direct and Indirect Pathways from Resonant Intermediates

Ab Initio Analysis of Water-Assisted Reaction Mechanisms in Amide Hydrolysis

Quantum mechanical computations on very large molecular systems: The local self-consistent field method

Tumeur desmoïde de la plèvre : un diagnostic possible en imagerie ?

Solvent effect on intramolecular hydrogen bonds in push-pull conjugated molecules

Constitutive dimerization of human serotonin 5‐HT4 receptors in living cells

Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. II. Charge separation processes

Electrostatic interactions in peptides. Polarisation effects due to an α-helix

Design and Synthesis of Specific Probes for Human 5-HT4 Receptor Dimerization Studies

NDDO fragment self-consistent field approximation for large electronic systems

Synthesis and Characterization of the First Fluorescent Antagonists for Human 5-HT4 Receptors

Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method

Fast geometry optimization in self-consistent reaction field computations on solvated molecules

Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)

New insights into the human 5‐HT4 receptor binding site: exploration of a hydrophobic pocket

Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method

Electronic descriptors in quantitative structure—activity relationships

Reaction field factors for a multipole distribution in a cavity surrounded by a continuum

Modification of the local self-consistent field method for modeling surface reactivity of covalent solids

Conformational equilibrium of 1,2-dichloroethane in methylchloride. A Monte Carlo simulation of the differential gauche-anti solvation

Two transmembrane Cys residues are involved in 5-HT sub(4) receptor dimerization

Solvent effects of molecular geometries and isomerization processes : a study of push-pull ethylenes in solution

Static dielectric constant density and temperature dependence for the tips model of liquid methyl chloride

Molecular dynamics simulation of conformational equilibrium of 1,2-dichloroethane

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