In this potentially valuable computational study, the authors conducted atomistic and coarse-grained simulations to probe the temperature-dependent phase behaviors of ELF3, a disordered component of ...

Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.

We illustrate the applicability of our scheme with the example of several molecular mixtures that exhibit fast and slow mixing and demixing processes within a molecular dynamics simulation ... checked ...

At the recent Supercomputing 24 show, Cerebras announced a breakthrough in molecular dynamics simulations. Data from third-party benchmark firm Artificial Analysis shows a single Cerebras CS-2 ...

Researchers have used machine learning and supercomputer simulations to investigate how tiny gold nanoparticles bind to blood proteins. The studies discovered that favorable nanoparticle-protein ...

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have used machine learning and supercomputer ...

Department of Chemical Engineering, Istanbul Technical University, Maslak, Istanbul 34469, Türkiye ...

Amber is a collection of programs that implement biomolecular simulations at the atomic level, primarily through molecular dynamics. This collection of repositories is an adjunct to the main Amber ...

the integration of biophysical techniques with molecular simulations and artificial intelligence (AI) has revolutionized our understanding of biomolecular and cellular properties. These ...