The algorithm is based on a semi-empirical method to adjust the adsorption proportions (here chlorine). The body is a molecular dynamics algorithm based on the verlet method where the adsorption ...
The swap Monte Carlo algorithm introduces nonphysical dynamic rules to accelerate the exploration of the configuration space of supercooled liquids. Its success raises deep questions regarding the ...
With advances in computational power, improved algorithms and reduced costs, molecular dynamics simulations have become potent tools to investigate protein dynamics. “[Such] simulations allow ...
Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany IMPRS on Cellular Biophysics, Max Planck Institute of Biophysics, ...
It seeks to explain biological function in terms of molecular structure, dynamics and organization, from single molecules to supramolecular structures. Xue et al. visualize how the antibiotic ...
How does the Earth generate its magnetic field? While the basic mechanisms seem to be understood, many details remain unresolved. A team of researchers from the Center for Advanced Systems ...
1 Department of Biotechnology, Indian Institute of Technology Hyderabad, Sangareddy, Telangana, India 2 Centre for Mental Health, Swinburne University of Technology, Melbourne, VIC, Australia ...