Molecular similarity for machine learning in drug development

by Schneider G, Proschak E, Rupp M
Published 2008-03-01

Identification of Plk1 type II inhibitors by structure-based virtual screening

by Spänkuch B, Schneider G, Proschak E, Keppner S
Published 2009-06-01

Virtual chemical reactions for drug design

by Schneider G, Proschak E, Hartenfeller M, Reisen F
Published 2009-06-01

Pseudoreceptor-based pocket selection in a molecular dynamics simulation of the histamine H4 receptor

by Schneider G, Proschak E, Tanrikulu Y, Geppert T, Werner T
Published 2009-06-01

PhAST: pharmacophore alignment search tool

by Schneider G, Steinhilber D, Proschak E, Hofmann B, Hähnke V
Published 2009-06-01

Reversible Small Molecule Inhibitors of MAO A and MAO B with Anilide Motifs

by Hagenow J, Hagenow S, Grau K, Khanfar M, Hefke L, Proschak E, Stark H
Published 2020-01-01

SQUIRRELnovo: <it>de novo</it> design of a PPARα agonist by bioisosteric replacement

by Schubert-Zsilavecz M, Stark H, Rau O, Schneider P, Tanrikulu Y, Zettl H, Sander K, Proschak E, Schneider G
Published 2009-06-01