Publications

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2025

1. Nordquist E, Zhang M, Yu W, MacKerell A. Computational modeling of PROTAC ternary complexes as ensembles using SILCS-xTAC. J. Chem. Inf. Model. 2026, 66, 1, 701-715. DOI PMC
2. Patel R, Nordquist E, Polli J. Prediction of surfactant-mediated dissolution of poorly soluble drugs from drug powder. Eur. J. Pharm. Sci. 2025, 107052. DOI PMC

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2024

3. Nordquist E^#, Zhang M^#, Kumar A, MacKerell A. Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots. J. Chem. Inf. Model. 2024, 64, 19, 7743–7757. DOI PMC
4. Nordquist E, Jia Z, Chen J. Small molecule NS11021 promotes BK Channel Activation by Increasing Inner Pore Hydration. J. Chem. Inf. Model. 2024, 64, 19, 7616–7625. DOI PMC

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2023

5. Nordquist E^#, Zhang G^#, Barethiya S, Ji N, White K, Han L, Jia Z, Shi J, Cui J, and Chen J. Incorporating physics to overcome data scarcity in predictive modeling of protein function: a case study of BK channels. PLOS Comput. Biol. 2023, 19(9): e1011460. DOI PMC
6. Zhang L^#, Barethiya S^#, Nordquist E, Chen J. Machine learning generation of dynamic protein conformational ensembles. Molecules 2023, 28(10), 4047. DOI PMC
7. Nordquist E, Jia Z, Chen J. Inner pore hydration free energy controls the activation of big potassium channels. Biophys. J. 2023, 122, 1158-1167. DOI PMC Best of Biophys J

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2022

8. Nordquist E, Clerico E, Chen J, Gierasch L. Computationally-aided modeling of Hsp70-client interactions: past, present, and future. J. Phys. Chem. B 2022, 126, 36, 6780–6791 DOI PMC
9. Nordquist E^#, Schultz S^#, Chen J. Using metadynamics to explore the free energy of dewetting in biologically-relevant nanopores. J. Phys. Chem. B 2022, 126, 34, 6428-6437 DOI PMC

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2021

10. Nordquist E, English C, Clerico E, Sherman W, Gierasch L, and Chen J. Physics-based modeling provides predictive understanding of selectively promiscuous substrate binding by Hsp70 chaperones. PLOS Comput. Biol. 2021, 17 (11): e1009567. DOI PMC

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2020

11. Gong X, Chiricotto M, Liu X, Nordquist E, Feig M, Brooks C, Chen J. Accelerating the generalized born with molecular volume and solvent accessible surface area implicit solvent model using graphics processing units. J. Comput. Chem. 2020, 41, 830–838. DOI PMC

Book Chapters

1. Nordquist E, Horrigan F, MacKerell A. Computational ligand binding site prediction. Springer Nature (accepted) 2025.

^#These authors contributed equally to the work.

DOI: Digital Object Identifiers are a way to “permanently” reference an important work online. The reader can click on the DOI link and expect it to take you to the final work, even if the publisher has changed.

PMC: PubMed Central is a free, full-text archive of science literature at the United States National Institutes of Health (NIH) National Library of Medicine (NLM). Scientists who recieve funding from the NIH must submit a version of their work to this archive.