The 2016 International Workshop on Frontiers in Molecular Biophysics primarily focuses on methods and applications in free energy calculations for biological processes including protein dynamics, protein solvation, protein folding, protein-ligand binding, protein-protein interaction and related topics. The workshop aims to provide an advanced platform for international exchange and collaboration among international scholars. The gathering of an outstanding group of international scholars with expertise in related fields in the workshop will help cultivate novel research ideas and develop new methodologies for the most challenging problems in these topics. The workshop will also provide excellent learning experiences for attending young scholars and graduate students who are working in related areas in molecular biophysics.