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Journal of Chemical Theory and Computation|April 1, 2021
Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsZhen Li, Lin Frank Song, Pengfei Li, et al.
Journal of Computer-Aided Molecular Design|August 26, 2018
Detailed potential of mean force studies on host-guest systems from the SAMPL6 challengeLin Frank Song, Nupur Bansal, Zheng Zheng, et al.
Journal of Chemical Theory and Computation|June 9, 2020
Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsZhen Li, Lin Frank Song, Pengfei Li, et al.
Journal of Chemical Information and Modeling|February 7, 2019
Random Forest Refinement of the KECSA2 Knowledge-Based Scoring Function for Protein Decoy DetectionJun Pei, Zheng Zheng, Kenneth M Merz
Proteins|July 31, 2020
Refinement of pairwise potentials via logistic regression to score protein-protein interactionsKiyoto A Tanemura, Jun Pei, Kenneth M Merz
Journal of Chemical Information and Modeling|February 4, 2021
Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsArkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Theory and Computation|December 30, 2022
Accurate Metal-Imidazole InteractionsZhen Li, Lin Frank Song, Gaurav Sharma, et al.
Journal of Chemical Information and Modeling|June 28, 2019
Using AMBER18 for Relative Free Energy CalculationsLin Frank Song, Tai-Sung Lee, Chun Zhu, et al.
The Journal of Physical Chemistry. B|January 16, 2024
Thermodynamics of Metal-Acetate InteractionsMajid Jafari, Zhen Li, Lin Frank Song, et al.
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