Software

HBCUFIX

HBCUFIX is RNA force fields refined against Small Angle X-ray Scattering experiments. This HBCUFIX modification extends the CUFIX corrections further to improve RNA structures and is benchmarked with Helix-Junction-Helix duplex and with single-strand RNA systems. The new RNA force fields allows more accurate structural-dynamic properties of RNA from MD simulations.

https://gitlab.com/KirmizialtinLab/hb_cufix


SimFRET is a Python package to simulate FRET experiments. The program allows running a quick simulation using the SMOG potential and to give suggestions about pairs of residues for FRET dye attachment. Giving the structure files of target macromolecule, the program automatically overlaps the dyes and computes the FRET efficiency. In the link below you can find the program and website for task submission:

 https://simfretweb.herokuapp.com/

SimFRET


CryoFit

CryoFit is a program that fits biomolecules (protein and nucleic acids) to Cryo-EM map which is reconstructed by single particle analysis using MD simulation. A widely used MD simulation package, Gromacs program, is integrated to one of the most popular structural biology programs, Phenix, to allow physics based refinement in a fast and user-friendly way. In the link below you can find the program and tutorial:

 https://www.phenix-online.org/documentation/reference/cryo_fit.html