Matthew Harger
Affiliations: | 2014-2019 | Chemical Biology and Medicinal Chemistry | University of Texas at Austin, Austin, Texas, U.S.A. |
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Publications
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| Maghsoud Y, Vázquez-Montelongo EA, Yang X, et al. (2023) Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of Chemical Information and Modeling. 63: 986-1001 |
| Kaoud TS, Johnson WH, Ebelt ND, et al. (2019) Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivo. Nature Communications. 10: 5232 |
| Harger M, Lee JH, Walker B, et al. (2019) Computational insights into the binding of IN17 inhibitors to MELK. Journal of Molecular Modeling. 25: 151 |
| Lagardère L, Jolly LH, Lipparini F, et al. (2018) Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chemical Science. 9: 956-972 |
| Harger M, Li D, Wang Z, et al. (2017) Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs. Journal of Computational Chemistry. 38: 2047-2055 |
| Zhang C, Bell D, Harger M, et al. (2016) Polarizable Multipole-based Force Field for Aromatic Molecules and Nucleobases. Journal of Chemical Theory and Computation |