Leo Gendelev, PhD

Senior AI Scientist - Computational Drug Discovery

Biophysics graduate student; Fletcher Jones Fellow, 2014-2019.

Lab papers

1. Deep phenotypic profiling of neuroactive drugs in larval zebrafish.

   Gendelev L, Taylor J, Myers-Turnbull D, Chen S, McCarroll MN, Arkin MR, Kokel D, Keiser MJ. Nat Commun. 2024 Nov 17.

2. Autoregressive fragment-based diffusion for pocket-aware ligand design.

   Ghorbani M, Gendelev L, Beroza P, Keiser MJ. arXiv - NeurIPS GenBio. 2023 Nov 2.

3. Simultaneous analysis of neuroactive compounds in zebrafish.

   Myers-Turnbull D, Taylor JC, Helsell C, McCarroll MN, Ki CS, Tummino TA, Ravikumar S, Kinser R, Gendelev L, Alexander R, Keiser MJ, Kokel D. bioRxiv. 2022 Jun 15.

4. Zebrafish behavioural profiling identifies GABA and serotonin receptor ligands related to sedation and paradoxical excitation.

   McCarroll MN, Gendelev L, Kinser R, Taylor J, Bruni G, Myers-Turnbull D, Helsell C, Carbajal A, Rinaldi C, Kang HJ, Gong JH, Sello JK, Tomita S, Peterson RT, Keiser MJ, Kokel D. Nat Commun. 2019 Sep 9.

5. A Simple Representation of Three-Dimensional Molecular Structure.

   Axen SD, Huang XP, Caceres EL, Gendelev L, Roth BL, Keiser MJ. J Med Chem. 2017 Sep 14.

6. Zebrafish behavioral profiling identifies multitarget antipsychotic-like compounds.

   Bruni G, Rennekamp AJ, Velenich A, McCarroll M, Gendelev L, Fertsch E, Taylor J, Lakhani P, Lensen D, Evron T, Lorello PJ, Huang XP, Kolczewski S, Carey G, Caldarone BJ, Prinssen E, Roth BL, Keiser MJ, Peterson RT, Kokel D. Nat Chem Biol. 2016 Jul.

7. Leveraging Large-scale Behavioral Profiling in Zebrafish to Explore Neuroactive Polypharmacology.

   McCarroll MN, Gendelev L, Keiser MJ, Kokel D. ACS Chem Biol. 2016 Apr 15.