Ewgenij Proschak

发表

Concept of Combinatorial De Novo Design of Drug‐like Molecules by Particle Swarm Optimization

Markus Hartenfeller, Ewgenij Proschak, Andreas Schüller, 2008, Chemical biology & drug design.

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist

Gisbert Schneider, Klaus-Robert Müller, Ewgenij Proschak, 2010, J. Cheminformatics.

A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

Julia Weber, Ewgenij Proschak, Knut Baumann, 2018, ACS omega.

Molecular Query Language (MQL)A Context-Free Grammar for Substructure Matching

Jörg K. Wegner, Gisbert Schneider, Uli Fechner, 2007, J. Chem. Inf. Model..

In silico polypharmacology: retrospective recognition vs. rational design

Ewgenij Proschak, 2014, Journal of Cheminformatics.

Design of dual ligands using excessive pharmacophore query alignment

Daniel Moser, Janosch Achenbach, Ewgenij Proschak, 2012, Journal of Cheminformatics.

Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity

Gisbert Schneider, Matthias Rupp, Ewgenij Proschak, 2007, J. Chem. Inf. Model..

SOMMER: self-organising maps for education and research

Michael Schmuker, Ewgenij Proschak, Gisbert Schneider, 2006, Journal of molecular modeling.

PhAST: pharmacophore alignment search tool

Gisbert Schneider, Ewgenij Proschak, Volker Hähnke, 2009, J. Comput. Chem..

Fragment-based identification of multi-target ligands by self-organizing map alignment

Janosch Achenbach, Ewgenij Proschak, Volker Dötsch, 2012, Journal of Cheminformatics.

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Markus Hartenfeller, Gisbert Schneider, Matthias Rupp, 2012, PLoS Comput. Biol..

SBE13, a newly identified inhibitor of inactive polo-like kinase 1

Gisbert Schneider, Ewgenij Proschak, Sarah Keppner, 2010, J. Cheminformatics.

Chapter 7:Fragment-based De Novo Design of Drug-like Molecules

Gisbert Schneider, Yusuf Tanrikulu, Ewgenij Proschak, 2008 .

PENG: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation, and Virtual Screening for Novel Ligands of LTA4H

Daniel Moser, Jan Kramer, Janosch Achenbach, 2015, J. Chem. Inf. Model..

Rational, computer-aided design of multi-target ligands

Janosch Achenbach, Ewgenij Proschak, 2011, J. Cheminformatics.

Computational tools for polypharmacology and repurposing.

Pekka Tiikkainen, Janosch Achenbach, Ewgenij Proschak, 2011, Future medicinal chemistry.

Shapelets: Possibilities and limitations of shape‐based virtual screening

Gisbert Schneider, Matthias Rupp, Ewgenij Proschak, 2008, J. Comput. Chem..

Reconsidering the drug discovery pipeline for designed multitarget drugs.

Ewgenij Proschak, 2013, Drug discovery today.

Protein‐protein docking by shape‐complementarity and property matching

Gisbert Schneider, Ewgenij Proschak, Tim Geppert, 2010, J. Comput. Chem..

VAMMPIRE-LORD: A Web Server for Straightforward Lead Optimization Using Matched Molecular Pairs

Daniel Moser, Janosch Achenbach, Ewgenij Proschak, 2015, J. Chem. Inf. Model..

Reaction-MQL: Line Notation for Functional Transformation

Gisbert Schneider, Ewgenij Proschak, Felix Reisen, 2009, J. Chem. Inf. Model..

6. De novo Drug Design

Markus Hartenfeller, Gisbert Schneider, Ewgenij Proschak, 2010 .

The holistic integration of virtual screening in drug discovery.

Björn Krüger, Ewgenij Proschak, Yusuf Tanrikulu, 2013, Drug discovery today.

Scaffold Hopping by “Fuzzy” Pharmacophores and its Application to RNA Targets

Petra Schneider, Gisbert Schneider, Ewgenij Proschak, 2007, Chembiochem : a European journal of chemical biology.

Scaffold‐Hopping Cascade Yields Potent Inhibitors of 5‐Lipoxygenase

Petra Schneider, Gisbert Schneider, Ewgenij Proschak, 2008, ChemMedChem.

In Silico Characterization of Ligand Binding Modes in the Human Histamine H4 Receptor and their Impact on Receptor Activation

Gisbert Schneider, Ewgenij Proschak, Holger Stark, 2010, Chembiochem : a European journal of chemical biology.

Approved Drugs Containing Thiols as Inhibitors of Metallo-β-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.

Ewgenij Proschak, Hanno Sjuts, Denys Pogoryelov, 2015, Journal of medicinal chemistry.

A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.

Gerd Geisslinger, Ewgenij Proschak, Daniel Merk, 2017, Journal of medicinal chemistry.

Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery.

Ewgenij Proschak, Daniel Merk, Lena Kalinowsky, 2017, Journal of medicinal chemistry.

Potent Inhibitors of 5‐Lipoxygenase Identified using Pseudoreceptors

Gisbert Schneider, Ewgenij Proschak, Bettina Hofmann, 2011, ChemMedChem.

Nonacidic Farnesoid X Receptor Modulators.

Ewgenij Proschak, Manfred Schubert-Zsilavecz, Daniel Merk, 2017, Journal of medicinal chemistry.

Exploring the chemical space of multitarget ligands using aligned self-organizing maps.

Daniel Moser, Janosch Achenbach, Ewgenij Proschak, 2013, ACS medicinal chemistry letters.

Multistep virtual screening for rapid and efficient identification of non-nucleoside bacterial thymidine kinase inhibitors.

Markus Hartenfeller, Gisbert Schneider, Ewgenij Proschak, 2010, Chemistry.

From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγ

Klaus-Robert Müller, Gisbert Schneider, Matthias Rupp, 2010, ChemMedChem.

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

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

2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization.

Gisbert Schneider, Ewgenij Proschak, Roland Seifert, 2009, Bioorganic & medicinal chemistry.

Polypharmacology by Design: A Medicinal Chemist's Perspective on Multitargeting Compounds.

Ewgenij Proschak, Daniel Merk, Holger Stark, 2018, Journal of medicinal chemistry.

Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering.

Daniel Moser, Janosch Achenbach, Ewgenij Proschak, 2012, ACS medicinal chemistry letters.

SAR-study on a new class of imidazo[1,2-a]pyridine-based inhibitors of 5-lipoxygenase.

Ewgenij Proschak, Manfred Schubert-Zsilavecz, Holger Stark, 2012, Bioorganic & medicinal chemistry letters.

Investigation of imatinib and other approved drugs as starting points for antidiabetic drug discovery with FXR modulating activity.

Janosch Achenbach, Ewgenij Proschak, Ramona Steri, 2012, Biochemical pharmacology.

Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3 R Antagonism for Neurodegenerative Diseases.

Ondřej Soukup, Ewgenij Proschak, Lena Kalinowsky, 2017, Angewandte Chemie.

VAMMPIRE: a matched molecular pairs database for structure-based drug design and optimization.

Daniel Moser, Julia Weber, Janosch Achenbach, 2013, Journal of medicinal chemistry.

Structure‐Based Pharmacophore Screening for Natural‐Product‐Derived PPARγ Agonists

Gisbert Schneider, Ewgenij Proschak, Oliver Schwarz, 2009, Chembiochem : a European journal of chemical biology.