Quantum mechanical calculation of noncovalent interactions: a large-scale evaluation of PMx, DFT, and SAPT approaches A Li, HS Muddana, MK Gilson Journal of chemical theory and computation 10 (4), 1563-1575, 2014 | 132 | 2014 |
Attractive interactions between heteroallenes and the cucurbituril portal O Reany, A Li, M Yefet, MK Gilson, E Keinan Journal of the American Chemical Society 139 (24), 8138-8145, 2017 | 28 | 2017 |
Protein-ligand binding enthalpies from near-millisecond simulations: Analysis of a preorganization paradox A Li, MK Gilson The Journal of Chemical Physics 149 (7), 2018 | 16 | 2018 |
Evaluation of Representations and Response Models for Polarizable Force Fields A Li, A Voronin, AT Fenley, MK Gilson The Journal of Physical Chemistry B 120 (33), 8668-8684, 2016 | 7 | 2016 |
Noncovalent Interactions: Evaluation of Computational Methods and Characterization of Molecular Binding A Li University of California, San Diego, 2016 | | 2016 |