Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...
In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...
Molecular dynamics simulations have emerged as an indispensable tool in modern biomedical research, particularly in the study of protein kinases. This computational approach permits detailed ...
Scientists have found a way to see ultrafast molecular interactions inside liquids using an extreme laser technique once ...
Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...
Vijayapura: The Centre of Advanced Medical Research (CAMR), in collaboration with the school of applied science and ...
Conducting polymers have emerged as a pivotal class of materials for advanced optoelectronic applications owing to their tunable molecular structure, ...
A theoretical study reveals how functionalized crown ethers selectively capture light gadolinium isotopes, offering a cleaner, more efficient path for nuclear and planetary science applications.
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