3D-RISM-KH approach for biomolecular modeling at nanoscale: Thermodynamics of fibril formation and beyond
Blinov N., Dorosh L., Wishart D., Kovalenko A., University of Alberta/National Institute for Nanotechnology, CA
As an alternative to the conventional solvation models, we propose to use the three-dimensional molecular theory of solvation (3D-RISM-KH approach) as an essential part of a multiscale approach for nanomedical applications. Based on the rigorous [...]