Projects funded by the NCN
Assessing protein-ligand complexes with ML/DL models trained on molecular dynamics-based descriptors.
2020/39/B/ST4/02747
Keywords:
molecular dynamics simulations machine learning deep learning modulators of enzyme and receptor activity.
Descriptors:
- ST4_004:
- ST6_011:
- ST4_009:
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Instytut Biochemii i Biofizyki PAN
woj. mazowieckie
Principal investigator (from the host institution):
dr hab. Paweł Aleksander Siedlecki
Number of co-investigators in the project: 6
Call: OPUS 20 - announced on 2020-09-15
Amount awarded: 517 280 PLN
Project start date (Y-m-d): 2021-07-16
Project end date (Y-m-d): 2024-07-15
Project duration:: 36 months (the same as in the proposal)
Project status: Project completed
Project description
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Information in the final report
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