Patrick Markt

发表

Pharmacophore Models for Virtual Screening

Thierry Langer, Daniela Schuster, Patrick Markt, 2011 .

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

Simona Distinto, Thierry Langer, Gerhard Wolber, 2008, J. Comput. Aided Mol. Des..

Critical Comparison of Virtual Screening Methods against the MUV Data Set

Pekka Tiikkainen, Simona Distinto, Antti Poso, 2009, J. Chem. Inf. Model..

COMP389-Successful application of a combined 3D pharmacophore, 3D shape, and electrostatic similarity virtual screening workflow to discover novel PPAR agonists

Simona Distinto, Daniela Schuster, Gerhard Wolber, 2008 .

Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches

Thierry Langer, Gerhard Wolber, Johannes Kirchmair, 2007, J. Chem. Inf. Model..

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009, J. Chem. Inf. Model..

COMP 266-The performance of 3-D shape-based virtual screening is not necessarily related to the quality of the query conformation

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2008 .

Optimized shape-focused virtual screening for enhanced enrichment rates

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009 .

Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds

Klaus R. Liedl, Bernd Wellenzohn, Thierry Langer, 2009, J. Chem. Inf. Model..

One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space

Klaus R. Liedl, Gerhard Wolber, Johannes Kirchmair, 2010, J. Chem. Inf. Model..

CLOUD – CeMM library of unique drugs

Gerhard Dürnberger, Jacques Colinge, Patrick Markt, 2012, Journal of Cheminformatics.

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening

Simona Distinto, Thierry Langer, Daniela Schuster, 2008, J. Chem. Inf. Model..

Pharmacophore modeling and parallel screening for PPAR ligands

Thierry Langer, Daniela Schuster, Johannes Kirchmair, 2007, J. Comput. Aided Mol. Des..

Sequence-specific positions of water molecules at the interface between DNA and minor groove binders.

Thierry Langer, Johannes Kirchmair, Klaus R Liedl, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

A combinatorial screen of the CLOUD uncovers a synergy targeting the androgen receptor.

Gerhard Dürnberger, Pär Stattin, Christoph Bock, 2017, Nature chemical biology.

Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2009, Journal of medicinal chemistry.

Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore‐Based and Shape‐Based Approaches.

Thierry Langer, Gerhard Wolber, Johannes Kirchmair, 2008 .

Development of anti-viral agents using molecular modeling and virtual screening techniques.

Daniela Schuster, Gerhard Wolber, Johannes Kirchmair, 2011, Infectious disorders drug targets.

In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens

Thierry Langer, Daniela Schuster, Judith M Rollinger, 2008, Planta medica.

The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2008, Journal of medicinal chemistry.

Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B.

Stefano Alcaro, Gerhard Wolber, Johannes Kirchmair, 2012, European journal of medicinal chemistry.

Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach.

Stefano Alcaro, Francesca Esposito, Gerhard Wolber, 2012, European journal of medicinal chemistry.

Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation

Daniela Schuster, Gerhard Wolber, Hermann Stuppner, 2011, Bioorganic & medicinal chemistry.

Computer-Aided Discovery, Validation, and Mechanistic Characterization of Novel Neolignan Activators of Peroxisome Proliferator-Activated Receptor γ

Daniela Schuster, Judith M Rollinger, Gerhard Wolber, 2010, Molecular Pharmacology.

Predicting Cyclooxygenase Inhibition by Three‐Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology

Daniela Schuster, Judith M Rollinger, Gerhard Wolber, 2010, Molecular informatics.

Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2008, Journal of medicinal chemistry.