Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
Joseph E. Davis, Adnan Ozsoy, Sandeep Patel, Miche...
— Molecular docking is an essential tool for drug design. It helps the scientist to rapidly know if two molecules, respectively called ligand and receptor, can be combined togeth...
Inspired by biological communication systems, molecular communication has been proposed as a viable scheme to communicate between nano-sized devices separated by a very short dist...
Sachin Kadloor, Raviraj S. Adve, Andrew W. Eckford
Systems biology focuses on the study of entire biological systems rather than on their individual components. With the emergence of high-throughput data generation technologies for...
The motion of two- and three-dimensional self-propelled microscopic bodies immersed in a fluid medium is studied using molecular dynamics simulation. The advantage of the atomisti...