The scientific group around Prof. Šponer publishes a paper in the Journal of Chemical Theory and Compution.

23. 11. 2023

Prof. Šponer's research group from the Department of Structure and Dynamics of Nucleonic Acids has a new paper in the American Chemical Society (ACS) Journal of Chemical Theory and Compution.

Professor Jiri Sponer from Institute of Biophysics of the Czech Academy of Sciences and fellow researchers work on improving empirical potentials (force fields) for molecular dynamics (MD) simulations of nucleic acids.



In the latest paper, they identified a subtle yet visible force-field artifact that had eluded force-field developers for the past decade. The artifact is connected with a steric clash between atoms involved in base-phoshate interactions. The authors proposed and tested simple correction which is improving the performance of the the state-of-the-art RNA force field.



READ THE FULL ARTICLE IN THE LINK HERE