Pinned Repositories
Mpro_H164N
Project of the Computational Biophysics exam @ Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands
Multiscale_Recoverin
A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods
Quantum_MD_H2
The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.
Simulations_Recoverin
Standard molecular dynamics and metadynamics simulations of the Recoverin protein. Master's degree thesis @ Unitn
Peppone98's Repositories
Peppone98/Mpro_H164N
Project of the Computational Biophysics exam @ Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands
Peppone98/Multiscale_Recoverin
A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods
Peppone98/Quantum_MD_H2
The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.
Peppone98/Simulations_Recoverin
Standard molecular dynamics and metadynamics simulations of the Recoverin protein. Master's degree thesis @ Unitn