Publications
The following are publications made possible by iCER resources. MSU faculty that would like to highlight the output of their research that's benefited from iCER resources are invited to contact us.
“Lignin Nanoparticle Morphology Depends on Polymer Properties and Solvent Composition: an Experimental and Computational Study”, ACS Applied Polymer Materials, vol. 4, no. 10, pp. 6925 - 6935, 2022.
, “Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes”, Journal of Biological Chemistry, vol. 298, no. 12, 2022.
, “Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction”, Journal of Biomolecular Structure and Dynamics, pp. 1 - 21, 2022.
, “Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics Simulations”, Journal of Chemical Theory and Computation, vol. 18, no. 10, pp. 6161 - 6171, 2022.
, “Taming salophen in rare earth metallocene chemistry”, Inorg. Chem. Front., p. -, 2022.
, “Direct generation of protein conformational ensembles via machine learning”, vol. 14, no. 1, p. 774, 2023.
, “Guanidinate Rare-Earth Tetraphenylborate Complexes and Their Prospects in Single-Molecule Magnetism”, Crystal Growth & Design, vol. 23, no. 5, pp. 3134 - 3143, 2023.
, “Linear, Electron-Rich, Homoleptic Rare Earth Metallocene and Its Redox Activity”, Inorganic Chemistry, vol. 62, no. 5, pp. 2095 - 2104, 2023.
, “MatFEA: Efficient Finite Element Framework for Analyzing Pavement Structures With Nonlinear Unbound Materials”, Transportation Research Record, 2023.
, “Mathematical modeling of disinformation and effectiveness of mitigation policies”, vol. 13, no. 1, p. 18735, 2023.
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