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 ...

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 ...

Water molecules are emerging as pivotal players in drug design and the molecular dynamics of protein–ligand complexes. Their unique properties not only mediate solvation effects and contribute to the ...

A research team led by professor Olivia Merkel, Chair of Drug Delivery at LMU and co-spokesperson of the Cluster for Nucleic ...

Researchers have used cryo-EM and computational tools to visualize ribozyme assembly, shedding light on life's most versatile ...

A research team drawn from Sweden, Germany, Italy and France has created the most complete ‘molecular film’ to date of a self ...

A research team led by professor Olivia Merkel, Chair of Drug Delivery at LMU and co-spokesperson of the Cluster for Nucleic ...

Imagine a bacterial cell—one of the multi-drug-resistant varieties that keep infectious disease experts up at night—blown apart like a microscopic firecracker. That's exactly what scientists are ...

RNA is a central biological macromolecule, now widely harnessed in medicine and nanotechnology. Like proteins, RNA function often depends on its precise three-dimensional structure.