X-ray Structure-Based Chemoinformatic Analysis Identifies Promiscuous Ligands Binding to Proteins from Different Classes with Varying Shapes

by Christian Feldmann, Jürgen Bajorath
Published 2020-05-01

Biological Activity Profiles of Multitarget Ligands from X-ray Structures

by Christian Feldmann, Jürgen Bajorath
Published 2020-02-01

Machine learning reveals that structural features distinguishing promiscuous and non-promiscuous compounds depend on target combinations

by Christian Feldmann, Jürgen Bajorath
Published 2021-04-01

Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning

by Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Published 2020-11-01

Identifying Promiscuous Compounds with Activity against Different Target Classes

by Christian Feldmann, Filip Miljković, Dimitar Yonchev, Jürgen Bajorath
Published 2019-11-01

A New Method for Contrasting Energy Performance and Near-Zero Energy Building Requirements in Different Climates and Countries

by Kaiser Ahmed, Margaux Carlier, Christian Feldmann, Jarek Kurnitski
Published 2018-05-01

Mapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents.

by Lorenzo Cianni, Carina Lemke, Erik Gilberg, Christian Feldmann, Fabiana Rosini, Fernanda Dos Reis Rocho, Jean F R Ribeiro, Daiane Y Tezuka, Carla D Lopes, Sérgio de Albuquerque, Jürgen Bajorath, Stefan Laufer, Andrei Leitão, Michael Gütschow, Carlos A Montanari
Published 2020-03-01