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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 Theory and Computation|August 6, 2013
Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit SolventPengfei Li, Benjamin P Roberts, Dhruva K Chakravorty, et al.Journal of Chemical Theory and Computation|March 23, 2023
Consequences of Overfitting the van der Waals Radii of IonsMadelyn Smith, Zhen Li, Luke Landry, et al.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.Biochemistry|December 23, 2015
Metal Ion Capture Mechanism of a Copper MetallochaperoneDhruva K Chakravorty, Pengfei Li, Trang T Tran, et al.Accounts of Chemical Research|August 8, 2014
Using quantum mechanical approaches to study biological systemsKenneth M MerzJournal of Chemical Theory and Computation|May 15, 2010
Limits of Free Energy Computation for Protein-Ligand InteractionsKenneth M MerzJournal of Chemical Theory and Computation|July 31, 2024
Simulating Metal-Imidazole ComplexesZhen Li, Subhamoy Bhowmik, Luca Sagresti, et al.Biochemistry|August 30, 2021
Formation of the Metal-Binding Core of the ZRT/IRT-like Protein (ZIP) Family Zinc TransporterGaurav Sharma, Kenneth M MerzJournal of the American Chemical Society|January 23, 2003
Molecular dynamics and quantum chemical studies on the catalytic mechanism of Delta5-3-ketosteroid isomerase: the catalytic diad versus the cooperative hydrogen bond mechanismHwangseo Park, Kenneth M MerzPageof 213