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Name: Giuseppe Gambini
Type: User
Name: Giuseppe Gambini
Type: User
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
A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods
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.
Standard molecular dynamics and metadynamics simulations of the Recoverin protein.
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