Roman Affentranger

A Novel Hamiltonian Replica Exchange MD Protocol to Enhance Protein Conformational Space Sampling

Roman Affentranger, Ivano Tavernelli, Ernesto E. Di Iorio · Journal of Chemical Theory and Computation · 2006 · 134 citations · Full text

Exploiting Antigenic Diversity for Vaccine Design

Marco Soriani, Pièrre Petit, Renata Grifantini et al. · Journal of Biological Chemistry · 2010 · 48 citations · Full text

On the Relative Merits of Equilibrium and Non‐Equilibrium Simulations for the Estimation of Free‐Energy Differences

Xavier Daura, Roman Affentranger, Alan E. Mark · ChemPhysChem · 2010 · 13 citations