Publication list:

A list of Mobley lab publications can be found at Google Scholar. To reduce administrative burden, we don’t maintain a separate publication list.

Data sets

Supporting files from publications

  • S. Liu and D. L. Mobley, “Is ring breaking feasible in relative binding free energy calculations?”, in J. Chem. Inf. Model. 55(4):727-735 (2015). Supporting trajectory files


  • G. J. Rocklin, D. L. Mobley, K. A. Dill, and P. H. Hünenberger, “Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for finite-size effects”, in J. Chem. Phys. 139(18):184103 (2013). (DOI). (A talk on the charge correction topic is available on YouTube; it was given to the Gilson and Shen groups by Gabe Rocklin).