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.

Export 551 results:
Author Title Type [ Year(Desc)]
2022
R. Carmen And Ela, Raza, S., Heiden, P. A., Vermaas, J. V., and Ong, R. G., “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.
J. V. Vermaas, Crowley, M. F., and Beckham, G. T., “Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes”, Journal of Biological Chemistry, vol. 298, no. 12, 2022.
Z. Wang, Belecciu, T., Eaves, J., Reimers, M., Bachmann, M., and Woldring, D., “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.
M. Kulke and Vermaas, J. V., “Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics Simulations”, Journal of Chemical Theory and Computation, vol. 18, no. 10, pp. 6161 - 6171, 2022.
E. Castellanos, Benner, F., and Demir, S., “Taming salophen in rare earth metallocene chemistry”, Inorg. Chem. Front., p. -, 2022.
2023
G. Janson, Valdes-Garcia, G., Heo, L., and Feig, M., “Direct generation of protein conformational ensembles via machine learning”, vol. 14, no. 1, p. 774, 2023.
F. Delano, IV and Demir, S., “Guanidinate Rare-Earth Tetraphenylborate Complexes and Their Prospects in Single-Molecule Magnetism”, Crystal Growth & Design, vol. 23, no. 5, pp. 3134 - 3143, 2023.
E. Castellanos and Demir, S., “Linear, Electron-Rich, Homoleptic Rare Earth Metallocene and Its Redox Activity”, Inorganic Chemistry, vol. 62, no. 5, pp. 2095 - 2104, 2023.
S. Farhad Abdollahi, M. Kutay, E., and Ghazavi, M., “MatFEA: Efficient Finite Element Framework for Analyzing Pavement Structures With Nonlinear Unbound Materials”, Transportation Research Record, 2023.
D. J. Butts, Bollman, S. A., and Murillo, M. S., “Mathematical modeling of disinformation and effectiveness of mitigation policies”, vol. 13, no. 1, p. 18735, 2023.

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