K. Baringhaus

发表

Artificial Intelligence in Drug Design

G. Hessler, K. Baringhaus, 2018, Molecules.

The scaffold hopping potential of pharmacophores.

G. Hessler, K. Baringhaus, 2010, Drug discovery today. Technologies.

A Virtual Screening Filter for Identification of Cytochrome P450 2C9 (CYP2C9) Inhibitors

G. Schneider, H. Matter, Evgeny Byvatov, 2007 .

De Novo Design: From Models to Molecules

G. Schneider, K. Baringhaus, 2013 .

The Design and Synthesis of a Scaffold for Combinatorial Chemistry Based on Bile Acid

W. Guba, H. Hemmerle, E. Lopez‐Calle, 1996 .

Bioisosteric Replacement of Molecular Scaffolds: From Natural Products to Synthetic Compounds

Gisbert Schneider, Karl-Heinz Baringhaus, Ewgenij Proschak, 2008 .

DEVELOPMENT AND APPLICATIONS OF GLOBAL ADMET MODELS

H. Matter, G. Hessler, Friedemann Schmidt, 2013 .

Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules.

H. Matter, G. Hessler, K. Baringhaus, 2012, Bioorganic & medicinal chemistry.

Rigidity Theory-Based Approximation of Vibrational Entropy Changes upon Binding to Biomolecules.

H. Gohlke, K. Baringhaus, I. Ben-Shalom, 2017, Journal of chemical theory and computation.

EXPLORATION OF STRUCTURE–ACTIVITY RELATIONSHIPS (SARs) AND TRANSFER OF KEY ELEMENTS IN LEAD OPTIMIZATION

H. Matter, G. Hessler, Friedemann Schmidt, 2013 .

6,8-Difluoro-4-methylumbiliferyl phosphate: a fluorogenic substrate for protein tyrosine phosphatases.

Karl-Heinz Baringhaus, Stefan Petry, N. Tennagels, 2005, Analytical biochemistry.

Hydroazulene derivatives, III. Enantioselective synthesis of a highly functionalized perhydroazulene

K. Baringhaus, H. Schäfer, 1990 .

Intestinal absorption of peptides by coupling to bile acids.

K. Baringhaus, G. Wess, W. Kramer, 1993, The Journal of biological chemistry.

The 2016 Frontiers in Medicinal Chemistry Conference in Bonn

C. Müller, K. Baringhaus, D. Thimm, 2017, ChemMedChem.

Targeting Dynamic Pockets of HIV-1 Protease by Structure-Based Computational Screening for Allosteric Inhibitors

Petra Schneider, Gisbert Schneider, Tiago Rodrigues, 2014, J. Chem. Inf. Model..

Fractal Dimensions of Macromolecular Structures

G. Schneider, G. Hessler, J. Kunze, 2014, Molecular informatics.

Gerhard Hessler, Karl-Heinz Baringhaus, G. Hessler, 2004, Drug discovery today. Technologies.

Inhibition of prolyl 4-hydroxylase by oxalyl amino acid derivatives in vitro, in isolated microsomes and in embryonic chicken tissues.

K. Baringhaus, V. Günzler, E. Baader, 1994, The Biochemical journal.

Hepatitis D Virus Entry Inhibitors Based on Repurposing Intestinal Bile Acid Reabsorption Inhibitors

D. Glebe, K. Baringhaus, J. Geyer, 2021, Viruses.

Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. I. Transport studies with membrane vesicles and cell lines expressing the cloned transporters.

H. Heuer, K. Baringhaus, A. Enhsen, 1999, Journal of lipid research.

A Chemical Genomics Approach for Ion Channel Modulators

G. Hessler, K. Baringhaus, 2005 .

Liver-specific drug targeting by coupling to bile acids.

K. Baringhaus, G. Wess, M. Bickel, 1992, The Journal of biological chemistry.

Hepatobiliary transport of hepatic 3‐hydroxy‐3‐methylglutaryl coenzyme a reductase inhibitors conjugated with bile acids

K. Baringhaus, E. Petzinger, G. Wess, 1995, Hepatology.

Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na(+)/bile acid cotransporter.

H. Matter, K. Baringhaus, W. Kramer, 1999, Journal of lipid research.

Identification of novel inhibitors of the steroid sulfate carrier ‘sodium-dependent organic anion transporter’ SOAT (SLC10A6) by pharmacophore modelling

K. Baringhaus, E. Petzinger, J. Geyer, 2016, Molecular and Cellular Endocrinology.

Intermolekulare Additionen und Cycloisomerisierungen durch eine Pd‐katalysierte Sequenz aus intramolekularer Redoxreaktion und Addition

B. Trost, K. Baringhaus, W. Brieden, 1992 .

Specific inhibitors of ileal bile acid transport.

K. Baringhaus, G. Wess, M. Urmann, 1994, Journal of medicinal chemistry.

Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening

S. Alakurtti, J. Yli-Kauhaluoma, D. Glebe, 2021, Viruses.

Selective inhibition of hepatic collagen accumulation in experimental liver fibrosis in rats by a new prolyl 4‐hydroxylase inhibitor

K. Baringhaus, V. Günzler, M. Gerl, 1998, Hepatology.

Scaffold diversity of natural products: inspiration for combinatorial library design.

Gisbert Schneider, Karl-Heinz Baringhaus, Kristina Grabowski, 2008, Natural product reports.

Intermolecular Additions and Cycloisomerizations by a Pd‐Catalyzed Sequence of an Intramolecular Redox Reaction and an Addition

B. Trost, K. Baringhaus, W. Brieden, 1992 .

Identification of the Bile Acid-binding Site of the Ileal Lipid-binding Protein by Photoaffinity Labeling, Matrix-assisted Laser Desorption Ionization-Mass Spectrometry, and NMR Structure*

M. Kurz, K. Baringhaus, G. Lange, 2001, The Journal of Biological Chemistry.

Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations

Holger Gohlke, Stefania Pfeiffer-Marek, Karl-Heinz Baringhaus, 2017, J. Chem. Inf. Model..

Computational approaches towards the rational design of drug-like compound libraries.

H Matter, H. Matter, T. Klabunde, 2001, Combinatorial chemistry & high throughput screening.

acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na 1 /bile acid cotransporter

H. Matter, K. Baringhaus, W. Kramer, 1999 .

Synthesis and biological activity of bile acid-derived HMG-CoA reductase inhibitors. The role of 21-methyl in recognition of HMG-CoA reductase and the ileal bile acid transport system.

K. Baringhaus, G. Wess, M. Urmann, 1994, Journal of medicinal chemistry.

Molecular Basis for Kv1.5 Channel Block

M. Sanguinetti, B. Pirard, S. Peukert, 2004, Journal of Biological Chemistry.

Molecular design . Concepts and applications

Gisbert Schneider, Karl-Heinz Baringhaus, G. Schneider, 2009 .

Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variation.

Gisbert Schneider, Karl-Heinz Baringhaus, Bjoern A. Krueger, 2009, Combinatorial chemistry & high throughput screening.

Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein-Protein Interface

Holger Gohlke, Hannes Kopitz, Alexander Metz, 2012, J. Chem. Inf. Model..

Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations

H. Gohlke, K. Baringhaus, I. Ben-Shalom, 2017, J. Chem. Inf. Model..

Structural requirements for the utilization of ascorbate analogues in the prolyl 4-hydroxylase reaction.

K. Baringhaus, G. Tschank, Josef Sanders, 1994, The Biochemical journal.

Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization

H. Matter, G. Hessler, Friedemann Schmidt, 2011, Molecular informatics.