This work introduces novel approaches, based on geometrical deep learning, for predicting
protein–protein interactions. A dataset containing both interacting and non-interacting …

This paper presents the survey of three algorithms to transform atomic-level molecular
snapshots from molecular dynamics (MD) simulations into metadata representations that are …

Current state-of-the-art resource management systems leverage Machine Learning (ML)
methods to enable the efficient use of heterogeneous memory hardware, deployed across …

In order to successfully predict a proteins function throughout its trajectory, in addition to
uncovering changes in its conformational state, it is necessary to employ techniques that …

В работе, используя метод моделирования эксперимента in silico, производили докинг
рецептора и его лигандов с целью получения данных необходимых для исследования …