New computer simulations that model every atom of a protein as it folds into its final three-dimensional form support the existence of a recently identified type of protein misfolding. Subscribe to ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

Proteins are huge molecules whose function depends on how they fold into intricate structures. To understand how these molecules work, researchers use computer modeling to calculate how proteins fold.

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...

(Nanowerk News) Life depends on proteins. These molecules are produced continually in our cells, which act as microscopic production lines - but the process is so complex we have barely begun to ...

OAK RIDGE, Tenn., Nov. 23, 2015--Supercomputing simulations at the Department of Energy's Oak Ridge National Laboratory could change how researchers understand the internal motions of proteins that ...

Researchers introduce a new computational framework to predict the details of protein folding and other dynamic molecular processes. Computational models have come a long way in their ability to ...

Dynamin assembles into a ring around the neck of a forming vesicle and utilizes GTP hydrolysis energy to constrict and sever the membrane. The simulation reveals that the dynamin ring expands (loosens ...