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Ewgenij Proschak
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Journal Articles
- 2015
- [j15]Julia Weber, Janosch Achenbach, Daniel Moser
, Ewgenij Proschak:
VAMMPIRE-LORD: A Web Server for Straightforward Lead Optimization Using Matched Molecular Pairs. J. Chem. Inf. Model. 55(2): 207-213 (2015) - [j14]Daniel Moser
, Sandra K. Wittmann, Jan Kramer, René Blöcher, Janosch Achenbach, Denys Pogoryelov, Ewgenij Proschak:
PENG: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation, and Virtual Screening for Novel Ligands of LTA4H. J. Chem. Inf. Model. 55(2): 284-293 (2015) - 2014
- [j13]Ewgenij Proschak:
In silico polypharmacology: retrospective recognition vs. rational design. J. Cheminformatics 6(S-1): 25 (2014) - 2012
- [j12]Daniel Moser, Joanna Wisniewska, Steffen Hahn, Estel la Buscató, Franca-Maria Klingler, Janosch Achenbach, Bettina Hofmann, Dieter Steinhilber, Ewgenij Proschak:
Design of dual ligands using excessive pharmacophore query alignment. J. Cheminformatics 4(S-1): 11 (2012) - [j11]Janosch Achenbach, Franca-Maria Klingler, Steffen Hahn, Svenja Steinbrink, Mirjam Schroeder, Frank Loehr, Volker Dötsch, Dieter Steinhilber, Ewgenij Proschak:
Fragment-based identification of multi-target ligands by self-organizing map alignment. J. Cheminformatics 4(S-1): 57 (2012) - [j10]Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp
, Felix Reisen, Ewgenij Proschak, Sascha Weggen
, Holger Stark, Gisbert Schneider
:
DOGS: Reaction-Driven de novo Design of Bioactive Compounds. PLoS Comput. Biol. 8(2) (2012) - 2011
- [j9]Janosch Achenbach, Ewgenij Proschak:
Rational, computer-aided design of multi-target ligands. J. Cheminformatics 3(S-1): 10 (2011) - 2010
- [j8]Tim Geppert, Ewgenij Proschak, Gisbert Schneider
:
Protein-protein docking by shape-complementarity and property matching. J. Comput. Chem. 31(9): 1919-1928 (2010) - [j7]Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller
, Gisbert Schneider:
Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist. J. Cheminformatics 2(S-1): 27 (2010) - [j6]Sarah Keppner, Ewgenij Proschak, Gisbert Schneider, Birgit Spänkuch:
SBE13, a newly identified inhibitor of inactive polo-like kinase 1. J. Cheminformatics 2(S-1): 54 (2010) - 2009
- [j5]Volker Hähnke
, Bettina Hofmann, Tomislav Grgat, Ewgenij Proschak, Dieter Steinhilber
, Gisbert Schneider
:
PhAST: Pharmacophore alignment search tool. J. Comput. Chem. 30(5): 761-771 (2009) - [j4]Felix Reisen, Gisbert Schneider
, Ewgenij Proschak:
Reaction-MQL: Line Notation for Functional Transformation. J. Chem. Inf. Model. 49(1): 6-12 (2009) - 2008
- [j3]Ewgenij Proschak, Matthias Rupp
, Swetlana Derksen, Gisbert Schneider
:
Shapelets: Possibilities and limitations of shape-based virtual screening. J. Comput. Chem. 29(1): 108-114 (2008) - 2007
- [j2]Ewgenij Proschak, Jörg K. Wegner
, Andreas Schüller
, Gisbert Schneider
, Uli Fechner:
Molecular Query Language (MQL)A Context-Free Grammar for Substructure Matching. J. Chem. Inf. Model. 47(2): 295-301 (2007) - [j1]Matthias Rupp
, Ewgenij Proschak, Gisbert Schneider
:
Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity. J. Chem. Inf. Model. 47(6): 2280-2286 (2007)
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