Designing antimicrobial peptides: form follows functionChristopher D. Fjell, Gisbert Schneider|Nature Reviews Drug Discovery|2011Cited by 2k
Predicting drug metabolism: experiment and/or computation?Johannes Kirchmair, Gisbert Schneider|Nature Reviews Drug Discovery|2015Cited by 500
DOGS: Reaction-Driven de novo Design of Bioactive CompoundsMarkus Hartenfeller, Gisbert Schneider, Matthias Rupp et al.|PLoS Computational Biology|2012Cited by 264
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocksGisbert Schneider, Petra Schneider, Man‐Ling Lee et al.|Journal of Computer-Aided Molecular Design|2000Cited by 257
Leveraging molecular structure and bioactivity with chemical language models for de novo drug designMichaël Moret, Gisbert Schneider|Nature Communications|2023Cited by 156