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Journal of Chemical Theory and Computation|September 23, 2021
FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose SelectionJun Pei, Lin Frank Song, Kenneth M MerzJournal of Chemical Theory and Computation|June 20, 2020
Pair Potentials as Machine Learning FeaturesJun Pei, Lin Frank Song, Kenneth M MerzJournal of the American Chemical Society|April 3, 2018
The Role of the Active Site Flap in Streptavidin/Biotin Complex FormationNupur Bansal, Zheng Zheng, Lin Frank Song, et al.Journal of Chemical Information and Modeling|August 21, 2020
Evolution of Alchemical Free Energy Methods in Drug DiscoveryLin Frank Song, Kenneth M MerzJournal of Chemical Theory and Computation|September 6, 2018
Generation of Pairwise Potentials Using Multidimensional Data MiningZheng Zheng, Jun Pei, Nupur Bansal, et al.Journal of Chemical Theory and Computation|November 18, 2015
Systematic Parameterization of Monovalent Ions Employing the Nonbonded ModelPengfei Li, Lin Frank Song, Kenneth M MerzThe Journal of Physical Chemistry. B|August 23, 2014
Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit waterPengfei Li, Lin Frank Song, Kenneth M MerzJournal of Chemical Information and Modeling|February 4, 2022
Effect of an Inhibitor on the ACE2-Receptor-Binding Domain of SARS-CoV-2Gaurav Sharma, Lin Frank Song, Kenneth M MerzJournal of the American Chemical Society|March 7, 2020
Thermodynamics of Transition Metal Ion Binding to ProteinsLin Frank Song, Arkajyoti Sengupta, Kenneth M MerzJournal of Chemical Information and Modeling|July 3, 2019
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy DetectionJun Pei, Zheng Zheng, Hyunji Kim, et al.Pageof 50