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High-performance computing (HPC) is reshaping computational drug discovery by enabling large-scale, time-efficient molecular simulations. In this work, we explore HPC-driven pipelines for Alzheimer's disease drug discovery, focusing on…
Certain short polycations, such as TAT and oligoarginine, rapidly pass through the plasma membranes of mammalian cells by a mechanism called transduction, as well as by endocytosis and macropinocytosis. These cell-penetrating peptides…
Accelerating molecular docking -- the process of predicting how molecules bind to protein targets -- could boost small-molecule drug discovery and revolutionize medicine. Unfortunately, current molecular docking tools are too slow to screen…
We present a nonlinear data-driven Model Predictive Control (MPC) algorithm for deep brain stimulation (DBS) for the treatment of Parkinson's disease (PD). Although DBS is typically implemented in open-loop, closed-loop DBS (CLDBS) uses the…
Proton therapy provides superior dose conformity compared with photon radiotherapy, concentrating radiation within the tumor while sparing adjacent healthy tissue. This advantage has been most effectively realized for static tumors in…
In long-term potentiation (LTP), one of the most studied types of neural plasticity, synaptic strength is persistently increased in response to stimulation. Although a number of different proteins have been implicated in the sub-cellular…
This work presents a comprehensive theory of consciousness grounded in mathematical formalism and supported by clinical data analysis. The framework developed herein demonstrates that consciousness exists as a continuous, non-monotonic…
The use of buried dopants to construct quantum-dot cellular automata is investigated as an alternative to conventional electronic devices for information transport and elementary computation. This provides a limit in terms of…
Deep learning holds tremendous potential in healthcare for uncovering hidden patterns within extensive clinical datasets, aiding in the diagnosis of various diseases. Parkinson's disease (PD) is a neurodegenerative condition characterized…
Improving the throughput of molecular docking, a computationally intensive phase of the virtual screening process, is a highly sought area of research since it has a significant weight in the drug designing process. With such improvements,…
The temporal and spatial development of Parkinson's disease has been characterised as the progressive formation of {\alpha}-synuclein aggregations through susceptible neuronal pathways. This article describes a new model for this…
The basal ganglia (BG) in the brain exhibit diverse functions for motor, cognition, and emotion. Such BG functions could be made via competitive harmony between the two competing pathways, direct pathway (DP) (facilitating movement) and…
Fundamental knowledge in activity recognition of individuals with motor disorders such as Parkinson's disease (PD) has been primarily limited to detection of steady-state/static tasks (sitting, standing, walking). To date, identification of…
Mental disorders (MD) are among the top most demanding challenges in world-wide health. According to the World Health Organization, the burden of MDs continues to grow with significant impact on health and major social and human rights. A…
Pulse-modulated feedback is utilized in drug dosing to mimic sustained over a longer period of time manual discrete dose administration, the latter is in contrast with continuous drug infusion. The intermittent mode of dosing calls for a…
Alzheimer's disease (AD) is a devastating neurodegenerative disorder with no cure and limited treatment solutions that are unable to target any of the suspected causes. Increasing evidence suggests that one of the causes of…
Parkinson's disease (PD), characterized by its incurable nature, rapid progression, and severe disability, poses significant challenges to the lives of patients and their families. Given the aging population, the need for early detection of…
Parkinson's disease (PD) shows heterogeneous, evolving brain-morphometry patterns. Modeling these longitudinal trajectories enables mechanistic insight, treatment development, and individualized 'digital-twin' forecasting. However, existing…
Proton Pump Inhibitors (PPIs) are the standard of care for gastric acid disorders but carry significant risks when administered chronically at high doses. Precise long-term control of gastric acidity is challenged by the impracticality of…
One of the promising frontiers of bioengineering is the controlled release of a therapeuticdrug from a vehicle across the skin (transdermal drug delivery). In order to study the complete process, a two-phase mathematical model describing…