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Single crystal growth, structural characteristics and magnetic properties of chromium substituted M-type ferrites

Solid state sciences, 2015-12, Vol.50, p.23-31

2015

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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Journal of chemical information and modeling, 2005-01, Vol.45 (1), p.160-169

2005

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Hydrogen Abstraction from n-Butyl Formate by H• and HO•2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (31), p.6757-6770

2013

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Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms

Journal of chemical information and modeling, 2005-03, Vol.45 (2), p.422-430

2005

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The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling

Journal of chemical information and modeling, 2005-03, Vol.45 (2), p.431-439

2005

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NMR Characterization of Kinase p38 Dynamics in Free and Ligand-Bound Forms

Angewandte Chemie International Edition, 2006-01, Vol.45 (6), p.993-997

2006

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Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening

Journal of Chemical Information and Computer Sciences, 2004-09, Vol.44 (5), p.1849-1856

2004

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Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation

Advances and applications in bioinformatics and chemistry, 2019-11, Vol.12, p.33-43

2019

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NMR Analysis of a Tau Phosphorylation Pattern

Journal of the American Chemical Society, 2006-03, Vol.128 (11), p.3575-3583

2006

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Structure–activity relationships and molecular modelling of 5-arylidene-2,4-thiazolidinediones active as aldose reductase inhibitors

Bioorganic & medicinal chemistry, 2005-04, Vol.13 (8), p.2809-2823

2005

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Structure-Based Pharmacophore Design and Virtual Screening for Novel Angiotensin Converting Enzyme 2 Inhibitors

Journal of chemical information and modeling, 2006-03, Vol.46 (2), p.708-716

2006

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Impact of Scoring Functions on Enrichment in Docking-Based Virtual Screening: An Application Study on Renin Inhibitors

Journal of Chemical Information and Computer Sciences, 2004-05, Vol.44 (3), p.1123-1129

2004

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Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa

Journal of chemical information and modeling, 2005-01, Vol.45 (1), p.146-159

2005

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Virtual combinatorial chemistry and in silico screening: Efficient tools for lead structure discovery?

Pure and applied chemistry, 2004-01, Vol.76 (5), p.991-996

2004

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Combining Ethnopharmacology and Virtual Screening for Lead Structure Discovery: COX-Inhibitors as Application Example

Journal of Chemical Information and Computer Sciences, 2004-03, Vol.44 (2), p.480-488

2004

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Highly efficient new catalysts for enantioselective transfer hydrogenation of ketones

Tetrahedron letters, 1996-02, Vol.37 (9), p.1381-1384

1996

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Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening

Journal of chemical information and modeling, 2005-05, Vol.45 (3), p.716-724

2005

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The reaction cycle of GroEL and GroES in chaperonin-assisted protein folding

Nature (London), 1993-11, Vol.366 (6452), p.228-233

1993

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Lead Identification for Modulators of Multidrug Resistance based on in silico Screening with a Pharmacophoric Feature Model

Archiv der Pharmazie (Weinheim), 2004-06, Vol.337 (6), p.317-327

2004

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Preparation of chiral phosphorus, sulfur and selenium containing 2-aryloxazolines

Tetrahedron, 1996-05, Vol.52 (21), p.7547-7583

1996

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Catalytic asymmetric hydrosilylation of ketones using rhodium-(l)-complexes of chiral phosphinooxazoline ligands

Tetrahedron: asymmetry, 1996-06, Vol.7 (6), p.1599-1602

1996

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Diastereoselective oxidative coupling of enolates of chiral carboxylic acid derivatives

Tetrahedron letters, 1995-06, Vol.36 (25), p.4409-4412

1995

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Diastereoselective Oxidative Coupling of Enolates of 3-Phenylpropionic Acid Derivatives - EPC Synthesis of ent-Hinokinin

Synlett, 1996-11, Vol.1996 (11), p.1137-1139

1996

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Chemical function based pharmacophore models as suitable filters for virtual 3D-database screening

Journal of molecular structure. Theochem, 2000-05, Vol.503 (1), p.59-72

2000

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Tautomerism in structure-based 3D pharmacophore modeling

Chemistry Central journal, 2008-03, Vol.2 (S1), Article P11

2008

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Single crystal growth, structural characteristics and magnetic properties of chromium substituted M-type ferrites

LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Hydrogen Abstraction from n-Butyl Formate by H• and HO•2

Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms

The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling

NMR Characterization of Kinase p38 Dynamics in Free and Ligand-Bound Forms

Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening

Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation

NMR Analysis of a Tau Phosphorylation Pattern

Structure–activity relationships and molecular modelling of 5-arylidene-2,4-thiazolidinediones active as aldose reductase inhibitors

Structure-Based Pharmacophore Design and Virtual Screening for Novel Angiotensin Converting Enzyme 2 Inhibitors

Impact of Scoring Functions on Enrichment in Docking-Based Virtual Screening: An Application Study on Renin Inhibitors

Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa

Virtual combinatorial chemistry and in silico screening: Efficient tools for lead structure discovery?

Combining Ethnopharmacology and Virtual Screening for Lead Structure Discovery: COX-Inhibitors as Application Example

Highly efficient new catalysts for enantioselective transfer hydrogenation of ketones

Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening

The reaction cycle of GroEL and GroES in chaperonin-assisted protein folding

Lead Identification for Modulators of Multidrug Resistance based on in silico Screening with a Pharmacophoric Feature Model

Preparation of chiral phosphorus, sulfur and selenium containing 2-aryloxazolines

Catalytic asymmetric hydrosilylation of ketones using rhodium-(l)-complexes of chiral phosphinooxazoline ligands

Diastereoselective oxidative coupling of enolates of chiral carboxylic acid derivatives

Diastereoselective Oxidative Coupling of Enolates of 3-Phenylpropionic Acid Derivatives - EPC Synthesis of ent-Hinokinin

Chemical function based pharmacophore models as suitable filters for virtual 3D-database screening

Tautomerism in structure-based 3D pharmacophore modeling

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