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Maksym Korablyov
Maksym Korablyov
Verified email at mit.edu
Title
Cited by
Cited by
Year
Deup: Direct epistemic uncertainty prediction
M Jain, S Lahlou, H Nekoei, V Butoi, P Bertin, J Rector-Brooks, ...
arXiv preprint arXiv:2102.08501, 2021
152021
RetroGNN: Approximating retrosynthesis by graph neural networks for de novo drug design
CH Liu, M Korablyov, S Jastrzębski, P Włodarczyk-Pruszyński, Y Bengio, ...
arXiv preprint arXiv:2011.13042, 2020
122020
Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
E Bengio, M Jain, M Korablyov, D Precup, Y Bengio
Advances in Neural Information Processing Systems 34, 2021
102021
Mechanism of action of HBV capsid assembly modulators predicted from binding to early assembly intermediates
A Pavlova, L Bassit, B Cox, M Korablyov, C Chipot, K Verma, O Russell, ...
NA, 2020
42020
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software
CH Liu, M Korablyov, S Jastrzębski, P Włodarczyk-Pruszyński, Y Bengio, ...
Journal of Chemical Information and Modeling, 2022
12022
Evaluating Generalization in GFlowNets for Molecule Design
AC Nica, M Jain, E Bengio, CH Liu, M Korablyov, MM Bronstein, Y Bengio
ICLR2022 Machine Learning for Drug Discovery, 2022
2022
The Mechanism of Action of Hepatitis B Virus Capsid Assembly Modulators Can Be Predicted from Binding to Early Assembly Intermediates
A Pavlova, L Bassit, BD Cox, M Korablyov, C Chipot, D Patel, DL Lynch, ...
Journal of Medicinal Chemistry 65 (6), 4854-4864, 2022
2022
RECOVER: sequential model optimization platform for combination drug repurposing identifies novel synergistic compounds in vitro
P Bertin, J Rector-Brooks, D Sharma, T Gaudelet, A Anighoro, T Gross, ...
arXiv preprint arXiv:2202.04202, 2022
2022
Rational development of HBV capsid assembly modifiers aided by molecular dynamics
A Pavlova, L Bassit, B Cox, M Korablyov, C Chipot, R Schinazi, J Gumbart
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Rational Development of HBV Capsid Inhibitors Aided by Molecular Dynamics
A Pavlova, M Korablyov, C Chipot, J Gumbart
Biophysical Journal 114 (3), 673a, 2018
2018
Rational Development of Hbv Capsid Inhibitors Aided by Molecular Dynamics
M Korablyov, A Pavlova, C Chipot, JC Gumbart
Biophysical Journal 112 (3), 344a, 2017
2017
Rational development of a new type of HBV capsid inhibitors by a combination of microsecond-scale molecular dynamics and docking
M Korablyov, A Pavlova, J Gumbart
Biophysical Journal 110 (3), 177a-178a, 2016
2016
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Articles 1–12