Nathan M. Lim

Blind prediction of solvation free energies from the SAMPL4 challenge

David L. Mobley, J. Peter Guthrie, Karisa L. Wymer, 2014, Journal of Computer-Aided Molecular Design.

Lead optimization mapper: automating free energy calculations for lead optimization

Shuai Liu, David L. Mobley, Robert Abel, 2013, Journal of Computer-Aided Molecular Design.

Blind prediction of HIV integrase binding from the SAMPL4 challenge

Shuai Liu, Arthur J. Olson, Alex L. Perryman, 2014, Journal of Computer-Aided Molecular Design.

Mobleylab/Blues: Version 0.2.2

David L. Mobley, Nathan M. Lim, Sgill, 2018 .

Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1

David L. Mobley, Michael K. Gilson, Christopher I. Bayly, 2018, bioRxiv.

Sensitivity in binding free energies due to protein reorganization

David L. Mobley, Robert Abel, Lingle Wang, 2016 .