Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments. - Rong Shen; Wei Han; Giacomo Fiorin; Shahidul M. Islam; Klaus Schulten; Benoît Roux (PLoS Comput. Biol., 2015)

Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular Dynamics. - Giacomo Fiorin; Fabrizio Marinelli 002; José D. Faraldo-Gómez (J. Comput. Chem., 2020)