Computer-aided drug design is instrumental in producing new lead compounds and compound classes to aid in the drug discovery pipeline. However, even with the advancements in computational virtual screening (VS) methods, discovery of a new drug is truly a challenging and time-consuming task…
Coarse-grained (CG) molecular dynamics (MD) has emerged as one of the most used, efficient and cost-effective mesoscale modeling methodologies due to its lower resolution, faster dynamics, and longer time steps…
Short, amphiphilic peptides can form supramolecular polymers with complex and varied morphologies. These highly ordered supramolecular nanostructures are also a facile platform to make artificial enzymes…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Lipids are essential structural elements of cell membranes that have a number of biological functions, including cell compartmentalization, involvement in signaling cascades, and transport regulation…
Dextran has demonstrated great potential in biomedical applications due to its chemical characteristics as well as its capacity to conjugate with other polymers…
Polysaccharides are one of the most important molecules in biological systems. The study of these systems through molecular dynamics (MD) simulations has attracted steadily increasing interest to develop novel materials for use in various different fields…
Short, amphiphilic peptides can form supramolecular polymers with complex and varied morphologies. These highly ordered supramolecular nanostructures are also a facile platform to make artificial enzymes…
Carbohydrate-based materials find widespread utility in diverse applications due to their unique properties, such as solubility, biocompatibility, non-toxicity, biodegradability, and mechanical strength…
Over the years, poly(N-isopropylacrylamide) (PNIPAM) has garnered significant attention due to its unique thermosensitive behavior, specifically its near-human body lower critical solution temperature (LCST), making it invaluable in various biomedical applications…