Publications by authors named "Aleksander E P Durumeric"
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Synopsis of recent research by authors named "Aleksander E P Durumeric"
- Aleksander E P Durumeric's recent research largely focuses on developing and enhancing coarse-grained (CG) molecular dynamics models through innovative methodologies, particularly utilizing machine learning techniques to improve model accuracy and efficiency.
- Key findings indicate that bottom-up CG models, when properly parameterized, can effectively simulate complex molecular behaviors while capturing important details from high-dimensional atomistic data, facilitating better understanding of physical phenomena.
- Durumeric's work also emphasizes the importance of validating CG models against all-atom simulations, thereby enhancing the fidelity of these models and expanding their applicability in areas like drug permeation and biomolecular interactions.
