These are repositories, softwares and web servers we contributed to develop:
LabTools: tools from and for our daily work.
Multi-eGO: tools and parameters to setup multi-eGO simulations using one or more reference MD simulation.
PLUMED: an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics and quantum chemistry engines (GitHub).
PLUMED-NEST: is the public repository of the PLUMED consortium. It provides all the data needed to reproduce the results of a PLUMED-enhanced molecular dynamics simulation (or analysis) contained in a published paper.
δ2D: A method of calculating secondary structures populations of proteins from their chemical shifts (GitHub).
s2D: A method of predicting protein secondary structure populations from the amino acid sequence. This predicts simultaneously structure and intrinsic disorder. It includes polyproline-II prediction.
