| Year |
Citation |
Score |
| 2023 |
Maghsoud Y, Vázquez-Montelongo EA, Yang X, Liu C, Jing Z, Lee J, Harger M, Smith AK, Espinoza M, Guo HF, Kurie JM, Dalby KN, Ren P, Cisneros GA. 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. PMID 36779232 DOI: 10.1021/acs.jcim.2c01448 |
0.644 |
|
| 2019 |
Kaoud TS, Johnson WH, Ebelt ND, Piserchio A, Zamora-Olivares D, Van Ravenstein SX, Pridgen JR, Edupuganti R, Sammons R, Cano M, Warthaka M, Harger M, Tavares CDJ, Park J, Radwan MF, et al. Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivo. Nature Communications. 10: 5232. PMID 31745079 DOI: 10.1038/S41467-019-12996-8 |
0.318 |
|
| 2019 |
Harger M, Lee JH, Walker B, Taliaferro JM, Edupuganti R, Dalby KN, Ren P. Computational insights into the binding of IN17 inhibitors to MELK. Journal of Molecular Modeling. 25: 151. PMID 31069524 DOI: 10.1007/S00894-019-4036-1 |
0.695 |
|
| 2018 |
Lagardère L, Jolly LH, Lipparini F, Aviat F, Stamm B, Jing ZF, Harger M, Torabifard H, Cisneros GA, Schnieders MJ, Gresh N, Maday Y, Ren PY, Ponder JW, Piquemal JP. 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. PMID 29732110 DOI: 10.1039/C7Sc04531J |
0.322 |
|
| 2017 |
Harger M, Li D, Wang Z, Dalby K, Lagardère L, Piquemal JP, Ponder J, Ren P. Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs. Journal of Computational Chemistry. 38: 2047-2055. PMID 28600826 DOI: 10.1002/Jcc.24853 |
0.561 |
|
| 2016 |
Zhang C, Bell D, Harger M, Ren P. Polarizable Multipole-based Force Field for Aromatic Molecules and Nucleobases. Journal of Chemical Theory and Computation. PMID 28030769 DOI: 10.1021/Acs.Jctc.6B00918 |
0.349 |
|
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