Leo Gendelev

Discovery Centre — Canada

Biochemistry, Genetics and Molecular Biology · Life Sciences

7h-index541citations16works4.42yr avg
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Research Topics

Zebrafish Biomedical Research Applications(9), Computational Drug Discovery Methods(8), Receptor Mechanisms and Signaling(8), Protein Structure and Dynamics(4), Machine Learning in Materials Science(3)

Publications16 total

Publisher Correction: Deep-learning-based virtual screening of antibacterial compounds
Nature Biotechnology·2025Open Access
Deep-learning-based virtual screening of antibacterial compounds
Nature Biotechnology·2025· 2 cited
Deep phenotypic profiling of neuroactive drugs in larval zebrafish
Nature Communications·2024· 15 citedOpen Access
A high-throughput phenotypic screen combined with an ultra-large-scale deep learning-based virtual screening reveals novel scaffolds of antibacterial compounds
2024· 4 citedOpen Access
Deep phenotypic profiling of neuroactive drugs in larval zebrafish
2024· 1 citedOpen Access
Autoregressive fragment-based diffusion for pocket-aware ligand design
arXiv (Cornell University)·2023· 5 citedOpen Access
Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors
Nature Communications·2022· 102 citedOpen Access
Zebrafish behavioral profiling identifies multitarget antipsychotic-like compounds
UNC Libraries·2020Open Access
Simultaneous analysis of neuroactive compounds in zebrafish
2020· 13 citedOpen Access
Zebrafish behavioural profiling identifies GABA and serotonin receptor ligands related to sedation and paradoxical excitation
Nature Communications·2019· 56 citedOpen Access
Zebrafish behavioral profiling identifies ligands, targets, and neurons related to sedation and paradoxical excitation
Zenodo (CERN European Organization for Nuclear Research)·2019Open Access
Zebrafish behavioral profiling identifies ligands, targets, and neurons related to sedation and paradoxical excitation
Figshare·2019Open Access
A Simple Representation of Three-Dimensional Molecular Structure
Journal of Medicinal Chemistry·2017· 136 citedOpen Access
A simple representation of three-dimensional molecular structure
2017· 7 citedOpen Access
Zebrafish behavioral profiling identifies multitarget antipsychotic-like compounds
Nature Chemical Biology·2016· 156 citedOpen Access
Leveraging Large-scale Behavioral Profiling in Zebrafish to Explore Neuroactive Polypharmacology
ACS Chemical Biology·2016· 44 citedOpen Access

Frequent Co-authors

Michael J. Keiser(12), David Kokel(9), Jack C. Taylor(7), Matthew N. McCarroll(6), Douglas Myers-Turnbull(6), Randall T. Peterson(5), Giancarlo N. Bruni(4), Bryan L. Roth(4), Anh Miu(4), Reid Kinser(4), Cole Helsell(4), Xi‐Ping Huang(3), Amanda Carbajal(3), Capria Rinaldi(3), Hye Jin Kang(3), Jung Ho Gong(3), Jason K. Sello(3), Susumu Tomita(3), Gabriele Scalia(3), Steven T. Rutherford(3)