Standout Papers

Designing antimicrobial peptides: form follows funct... 1999 2026 2008 2017 1.6k
  1. Designing antimicrobial peptides: form follows function (2011)
    Christopher D. Fjell, Jan A. Hiss et al. Nature Reviews Drug Discovery
  2. Counting on natural products for drug design (2016)
    Tiago Rodrigues, Daniel Reker et al. Nature Chemistry
  3. Computer-based de novo design of drug-like molecules (2005)
    Gisbert Schneider, Uli Fechner Nature Reviews Drug Discovery
  4. Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery (2019)
    Xin Yang, Yifei Wang et al. Chemical Reviews
  5. “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening (1999)
    Gisbert Schneider, Werner Neidhart et al. Angewandte Chemie International Edition
  6. Automating drug discovery (2017)
    Gisbert Schneider Nature Reviews Drug Discovery
  7. Rethinking drug design in the artificial intelligence era (2019)
    Petra Schneider, W. Patrick Walters et al. Nature Reviews Drug Discovery
  8. Deep Learning in Drug Discovery (2015)
    Jan A. Hiss, Gisbert Schneider et al. Molecular Informatics
  9. Predicting drug metabolism: experiment and/or computation? (2015)
    Johannes Kirchmair, Andreas H. Göller et al. Nature Reviews Drug Discovery
  10. Artificial intelligence in drug discovery: recent advances and future perspectives (2021)
    José Jiménez-Luna, Francesca Grisoni et al. Expert Opinion on Drug Discovery
  11. Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR (2023)
    Alexander Tropsha, Olexandr Isayev et al. Nature Reviews Drug Discovery

Immediate Impact

13 by Nobel laureates 18 from Science/Nature 83 standout
Sub-graph 1 of 18

Citing Papers

Sulfenylnitrene-mediated nitrogen-atom insertion for late-stage skeletal editing of N -heterocycles
2025 StandoutScience
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
2025 Standout
7 intermediate papers

Works of Gisbert Schneider being referenced

QMugs, quantum mechanical properties of drug-like molecules
2022
Rethinking drug design in the artificial intelligence era
2019 Standout
and 3 more

Author Peers

Author Last Decade Papers Cites
Gisbert Schneider 12826 9753 2881 3556 443 21.8k
Jean‐Louis Reymond 10666 4965 997 3915 402 16.8k
Tingjun Hou 15418 10136 1865 5202 538 27.7k
David S. Goodsell 26708 10062 3959 3879 223 44.7k
Tom L. Blundell 33473 5096 1640 7516 499 44.6k
David E. Shaw 26948 6644 1763 5621 258 38.6k
Ruth Nussinov 42884 9496 1669 10341 785 52.9k
Garrett M. Morris 20439 9273 3657 3015 120 37.0k
Hualiang Jiang 16585 6383 2755 2027 707 29.2k
Roman A. Laskowski 33214 4483 2184 8313 107 46.0k
Helen M. Berman 36404 7230 2032 10080 241 48.2k

All Works

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2026