O. Roche

发表

A fast virtual screening filter for cytochrome P450 3A4 inhibition liability of compound libraries

Gisbert Schneider, Ola Engkvist, Uli Fechner, 2002 .

Ligand-protein database: linking protein-ligand complex structures to binding data.

C L Brooks, C. Brooks, O. Roche, 2001, Journal of medicinal chemistry.

Computational chemistry as an integral component of lead generation.

Wolfgang Guba, Olivier Roche, W. Guba, 2005, Mini reviews in medicinal chemistry.

Isomeric thiazole derivatives as ligands for the neuropeptide Y5 receptor.

W. Guba, P. Mattei, W. Neidhart, 2005, Bioorganic & medicinal chemistry letters.

Biochemical and behavioural characterization of EMPA, a novel high‐affinity, selective antagonist for the OX2 receptor

E. Pinard, P. Malherbe, J. Moreau, 2009, British journal of pharmacology.

Mapping the Binding Pocket of Dual Antagonist Almorexant to Human Orexin 1 and Orexin 2 Receptors: Comparison with the Selective OX 1 Antagonist SB-674042 and the Selective OX 2 Antagonist N -Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-

C. Bissantz, P. Malherbe, C. Kratzeisen, 2010 .

Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs.

Olivier Roche, Hans Richter, M. Nettekoven, 2009, Bioorganic & medicinal chemistry letters.

5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity.

J. Huwyler, S. Raab, F. Schuler, 2009, Journal of medicinal chemistry.

De novo design by pharmacophore-based searches in fragment spaces

Matthias Rarey, Wolfgang Guba, Tobias Lippert, 2011, J. Comput. Aided Mol. Des..

Development of a virtual screening method for identification of "frequent hitters" in compound libraries.

Wolfgang Guba, Petra Schneider, Gisbert Schneider, 2002, Journal of medicinal chemistry.

A Virtual Screening Method for Prediction of the hERG Potassium Channel Liability of Compound Libraries

Gisbert Schneider, Olivier Roche, Gerhard Trube, 2002, Chembiochem : a European journal of chemical biology.

Refinement of histamine H3 ligands pharmacophore model leads to a new class of potent and selective naphthalene inverse agonists.

M. Nettekoven, O. Roche, R. Sarmiento, 2008, Bioorganic & medicinal chemistry letters.

Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold.

J. Huwyler, S. Raab, F. Schuler, 2010, Bioorganic & medicinal chemistry letters.

A new class of histamine H3 receptor antagonists derived from ligand based design.

Olivier Roche, Rosa María Rodríguez Sarmiento, O. Roche, 2007, Bioorganic & medicinal chemistry letters.

Mapping the Binding Pocket of Dual Antagonist Almorexant to Human Orexin 1 and Orexin 2 Receptors: Comparison with the Selective OX1 Antagonist SB-674042 and the Selective OX2 Antagonist N-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmethyl-acetamide (EMPA)

C. Bissantz, P. Malherbe, C. Kratzeisen, 2010, Molecular Pharmacology.

Ensemble Methods for Classification in Cheminformatics

Thomas Lengauer, Harald Mauser, Martin Stahl, 2004, J. Chem. Inf. Model..

Histamine-3 Receptor Inverse Agonists for the Treatment of Obesity: Validation of the Target and Identification of Novel Series

J. Huwyler, S. Raab, F. Schuler, 2009 .

Theoretical study of the conformation of the H‐protein lipoamide arm as a function of its terminal group

K. Hinsen, M. Field, O. Roche, 1999, Proteins: Structure, Function, and Bioinformatics.

Theoretical study of the conformation of the lipoamide arm in a mutant H protein

M. Field, O. Roche, 2001, Proteins.

From astemizole to a novel hit series of small-molecule somatostatin 5 receptor antagonists via GPCR affinity profiling.

Wolfgang Guba, Harald Mauser, Martin Stahl, 2007, Journal of medicinal chemistry.