RevGraphVAMP: A protein molecular simulation analysis model combining graph convolutional neural networks and physical constraints.

Molecular dynamics simulation is a crucial research domain within the life sciences, focusing on comprehending the mechanisms of biomolecular interactions at atomic scales. Protein simulation, as a critical subfield, often utilizes MD for implementation, with trajectory data play a pivotal role in drug discovery. The advancement of high-performance computing and deep learning technology becomes popular and critical to predict protein properties from vast trajectory data, posing challenges regarding data features extraction from the complicated simulation data and dimensionality reduction.

Nonlinear Relationship Between Low Density Lipoprotein and the Probability of Diabetic Macular Edema.

Purpose: Previous studies simply linearized the relationship between low density lipoprotein (LDL) and diabetic macular edema's (DME) probability, ignoring the possibility of a nonlinear relationship between them. We aimed to investigate the nonlinear relationship between LDL and DME probability in patients with type 2 diabetes mellitus (T2DM).

Patients And Methods: The study recruited 431 T2DM patients who attended Guangdong Provincial People's Hospital from December 2017 to November 2018.

An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.

Oligopeptide permease, OppABCD, belongs to the type I ABC transporter family. Its role is to import oligopeptides into bacteria for nutrient uptake and to modulate the host immune response. OppABCD consists of a cluster C substrate-binding protein (SBP), OppA, membrane-spanning OppB and OppC subunits, and an ATPase, OppD, that contains two nucleotide-binding domains (NBDs).

Molecular basis for substrate transport of ABC importer DppABCD.

The type I adenosine 5'-triphosphate (ATP)-binding cassette (ABC) transporter DppABCD is believed to be responsible for the import of exogenous heme as an iron source into the cytoplasm of the human pathogen (). Additionally, this system is also known to be involved in the acquisition of tri- or tetra-peptides. Here, we report the cryo-electron microscopy structures of the dual-function DppABCD transporter in three forms, namely, the , substrate-bound, and ATP-bound states.

SWsnn: A Novel Simulator for Spiking Neural Networks.

Spiking neural network (SNN) simulators play an important role in neural system modeling and brain function research. They can help scientists reproduce and explore neuronal activities in brain regions, neuroscience, brain-like computing, and other fields and can also be applied to artificial intelligence, machine learning, and other fields. At present, many simulators using central processing unit (CPU) or graphics processing unit (GPU) have been developed.