Follow
Maksym Korablyov
Maksym Korablyov
Verified email at mit.edu
Title
Cited by
Cited by
Year
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, 27381-27394, 2021
1752021
Deup: Direct epistemic uncertainty prediction
S Lahlou, M Jain, H Nekoei, VI Butoi, P Bertin, J Rector-Brooks, ...
arXiv preprint arXiv:2102.08501, 2021
762021
Learning GFlowNets from partial episodes for improved convergence and stability
K Madan, J Rector-Brooks, M Korablyov, E Bengio, M Jain, AC Nica, ...
International Conference on Machine Learning, 23467-23483, 2023
352023
RetroGNN: fast estimation of synthesizability for virtual screening and de novo design by learning from slow retrosynthesis software
CH Liu, M Korablyov, S Jastrzebski, P Włodarczyk-Pruszynski, Y Bengio, ...
Journal of Chemical Information and Modeling 62 (10), 2293-2300, 2022
212022
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
202020
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
142022
Thompson sampling for improved exploration in GFlowNets
J Rector-Brooks, K Madan, M Jain, M Korablyov, CH Liu, S Chandar, ...
arXiv preprint arXiv:2306.17693, 2023
102023
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
82022
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
82022
Se (3)-stochastic flow matching for protein backbone generation
AJ Bose, T Akhound-Sadegh, K Fatras, G Huguet, J Rector-Brooks, ...
arXiv preprint arXiv:2310.02391, 2023
62023
RECOVER identifies synergistic drug combinations in vitro through sequential model optimization
P Bertin, J Rector-Brooks, D Sharma, T Gaudelet, A Anighoro, T Gross, ...
Cell Reports Methods 3 (10), 2023
52023
Mechanism of action of HBV capsid assembly modulators predicted from binding to early assembly intermediates
A Pavlova, L Bassit, BD Cox, M Korablyov, C Chipot, K Verma, ...
bioRxiv, 2020.03. 23.002527, 2020
42020
A community effort in SARS‐CoV‐2 drug discovery
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
Molecular Informatics 43 (1), e202300262, 2024
12024
A community effort to discover small molecule SARS-CoV-2 inhibitors
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
American Chemical Society (ACS), 2023
2023
Development of novel HBV capsid assembly modifiers through molecular dynamics, docking, and experiments
Z Fan, A Pavlova, M Jenkins, MD Korablyov, MG Finn, JC Gumbart
Biophysical Journal 122 (3), 185a, 2023
2023
Properties of Minimizing Entropy
X Ji, L Nehale-Ezzine, M Korablyov
arXiv preprint arXiv:2112.03143, 2021
2021
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
The system can't perform the operation now. Try again later.
Articles 1–20