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Megan L. O'Mara

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2020 – today

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2025
[j4]
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  - journals/jcisd/MunaweeraQMMO25
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  - https://dblp.org/rec/journals/jcisd/MunaweeraQMMO25
Rangika Munaweera, Ada Quinn, Luna Morrow, Richard A. Morris, Megan L. O'Mara:
PolyConstruct: Adapting Biomolecular Simulation Pipelines for Polymers with PolyBuild, PolyConf, and PolyTop. J. Chem. Inf. Model. 65(10): 4918-4931 (2025)
2022
[j3]
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Lily Wang, Megan L. O'Mara:
PsiRESP: calculating RESP charges with Psi4. J. Open Source Softw. 7(73): 4100 (2022)

2010 – 2019

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2019
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Nandhitha Subramanian, Alexandra Schumann-Gillett, Alan E. Mark, Megan L. O'Mara:
Probing the Pharmacological Binding Sites of P-Glycoprotein Using Umbrella Sampling Simulations. J. Chem. Inf. Model. 59(5): 2287-2298 (2019)
2015
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Nandhitha Subramanian, Karmen Condic-Jurkic, Alan E. Mark, Megan L. O'Mara:
Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques. J. Chem. Inf. Model. 55(6): 1202-1217 (2015)
2014
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Megan L. O'Mara, Evelyne Deplazes:
Polypeptide and Protein Modeling for Drug Design. Encyclopedia of Computational Neuroscience 2014

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