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_4: Theoretical and computational chemistry
- ST6_11: Machine learning, statistical data processing and applications using signal processing (e.g. speech, image, video)
- ST4_9: Biological chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Instytut Biochemii i Biofizyki Polskiej Akademii Nauk
woj. mazowieckie
Principal investigator (from the host institution):
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
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.