A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

In the paper, author considers a new method for constructing the quasi-equilibrium thermodynamics of a system of ...

Ensemble models, comprising multiple algorithms or simulations to improve prediction accuracy, are increasingly being applied ...

More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study ...

Water is the most prevalent component of biomolecular simulations - from protein ensembles to nucleic acids - and ...

European Women's Football Championship kicks off tomorrow, Wednesday, in Switzerland. The Spanish national team is favored to ...

Bridging expertise "Information theory is a universal language to quantify structure and regularity in statistical ensembles, which are a collection of replicates of the same process.

Bridging expertise “Information theory is a universal language to quantify structure and regularity in statistical ensembles, which are a collection of replicates of the same process.

From a logical point of view, it would be desirable to develop the statistical theory of nonequilibrium processes first, and treat the theory of statistical equilibrium as its limiting case. Such an ...