The hydrothermal-calcination technique was used to modify raw sand with silver (Ag) at different weight percentages: 2%, 5%, and 10% using silver nitrate. The raw and sand-coated Ag nanoparticle samples were analyzed using various techniques, includi...
As the primary power source for electric vehicles, the accurate estimation of the State of Health (SOH) of lithium-ion batteries is crucial for ensuring the reliable operation of the power system. Long Short-Term Memory (LSTM), a special type of recu...
Immunopeptidomics is crucial for immunotherapy and vaccine development. Because the generation of immunopeptides from their parent proteins does not adhere to clear-cut rules, rather than being able to use known digestion patterns, every possible pro...
The introduction of AlphaFold 2 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in protein modelling and design. Here we describe our AlphaFold 3 model with a substantially...
Owing to its simplicity of measurement, effluent conductivity is one of the most studied factors in evaluations of desalination performance based on the ion concentrations in various ion adsorption processes such as capacitive deionization (CDI) or b...
Structural details of oligosaccharides, or glycans, often carry biological relevance, which is why they are typically elucidated using tandem mass spectrometry. Common approaches to distinguish isomers rely on diagnostic glycan fragments for annotati...
Journal of chemical theory and computation
39882632
Despite its importance in understanding biology and computer-aided drug discovery, the accurate prediction of protein ionization states remains a formidable challenge. Physics-based approaches struggle to capture the small, competing contributions in...
Peptide ion mobility adds an extra dimension of separation to mass spectrometry-based proteomics. The ability to accurately predict peptide ion mobility would be useful to expedite assay development and to discriminate true answers in a database sear...
The structures of metalloproteins are essential for comprehending their functions and interactions. The breakthrough of AlphaFold has made it possible to predict protein structures with experimental accuracy. However, the type of metal ion that a met...
In living organisms, the modulation of ion conductivity in ion channels of neuron cells enables intelligent behaviors, such as generating, transmitting, and storing neural signals. Drawing inspiration from these natural processes, researchers have fa...