Varnek, A.

Design of a General-Purpose European Compound Screening Library for EU-OPENSCREEN

Abstract This work describes a collaborative effort to define and apply a protocol for the rational selection of a general-purpose screening library, to be used by the screening …

Horvath, D.

• Oct 1, 2014 • 1 min read

Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints

We herewith present a novel approach to predict protein–ligand binding modes from the single two-dimensional structure of the ligand.

Chupakhin, V.

• Apr 22, 2013 • 1 min read