Atanas Patronov

AstraZeneca (Netherlands) — Netherlands

Computer Science · Physical Sciences

18h-index2.1kcitations63works6.72yr avg
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Research Topics

Computational Drug Discovery Methods(42), Machine Learning in Materials Science(21), Chemical Synthesis and Analysis(12), Protein Structure and Dynamics(10), Genetics, Bioinformatics, and Biomedical Research(8)

Publications63 total

PAM-interacting domain turn-helix 51 motifs can improve Cas9–SpRY activity
Nucleic Acids Research·2025Open Access
PepINVENT: generative peptide design beyond natural amino acids
Chemical Science·2025· 20 citedOpen Access
PepINVENT: Generative peptide design beyond the natural amino acids
arXiv (Cornell University)·2024Open Access
Author response for "Link-INVENT: generative linker design with reinforcement learning"
2023
Link-INVENT: generative linker design with reinforcement learning
Digital Discovery·2023· 79 citedOpen Access
Human-in-the-loop assisted de novo molecular design
Journal of Cheminformatics·2022· 33 citedOpen Access
Icolos: a workflow manager for structure-based post-processing of <i>de novo</i> generated small molecules
Bioinformatics·2022· 13 citedOpen Access
Author Correction: Improving de novo molecular design with curriculum learning
Nature Machine Intelligence·2022· 1 citedOpen Access
Human-in-the-loop assisted de novo molecular design
2022Open Access
Improving de novo molecular design with curriculum learning
Nature Machine Intelligence·2022· 52 cited
Link-INVENT: Generative Linker Design with Reinforcement Learning
2022· 12 citedOpen Access
Transformer-based molecular optimization beyond matched molecular pairs
Journal of Cheminformatics·2022· 77 citedOpen Access
Structure-Aware Multimodal Deep Learning for Drug–Protein Interaction Prediction
Journal of Chemical Information and Modeling·2022· 77 cited
Improving De Novo Molecular Design with Curriculum Learning
2022· 1 citedOpen Access
Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
2022· 4 citedOpen Access
Transformer Neural Network-Based Molecular Optimization Using General Transformations
2021Open Access
Transformer Neural Network-Based Molecular Optimization Using General Transformations
2021· 1 citedOpen Access
DockStream: a docking wrapper to enhance de novo molecular design
Journal of Cheminformatics·2021· 73 citedOpen Access
Improving De Novo Molecular Design with Curriculum Learning
2021· 5 citedOpen Access
Has Artificial Intelligence Impacted Drug Discovery?
Methods in molecular biology·2021· 20 cited
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Frequent Co-authors

Ola Engkvist(35), Kostas Papadopoulos(27), Christian Margreitter(17), Jon Paul Janet(14), Esben Jannik Bjerrum(13), Christian Tyrchan(11), Jeff Guo(11), Vendy Fialková(10), Josep Arús‐Pous(8), Hongming Chen(8), Thierry Kogej(7), Eva Nittinger(7), Irini Doytchinova(6), Jiaxi Zhao(6), Matthias R. Bauer(6), Kathryn A. Giblin(6), Alexey Voronov(6), Thomas Blaschke(5), Ivan Dimitrov(5), Darren R. Flower(5)