Publications

2024

1. Garzon, D. O., Akbari, O., Bilodeau, C. L. (2024) PepMNet: A Hybrid Deep Learning Model for Predicting Peptide Properties Using Hierarchical Graph Representations. ChemRxiv, doi:10.26434. (Link)

2. Lau, S. C., Bilodeau, C. L. (2024) Effect of Monovalent Cations on the Structure and Dynamics of Multimodal Chromatographic Surfaces. Langmuir. 40(13) 6694-6702. (Link)

   2023

3. Koscher, B., R.B., Canty, McDonald, M. A., Greenman, K. P., McGill, C. J., Bilodeau, C. L., Jin, W., Wu H., Vermeire, F. H., Jin B., Hart, T. et al. (2023). Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back. Science. (382) 6677. (Link)

4. Bilodeau, Camille, Kazakov, Andrei, Mukhopadhyay, Sukrit, Emerson, Jillian, Kalantar, Tom, Muzny, Chris, Jensen, Klavs, F. (2023). Machine Learning for Predicting the Viscosity of Liquid Mixtures (2023). J. Chem. Eng. (464) 142454. (Link)

   2022

5. Bilodeau, Camille, Jin, Wengong, Jaakola, Tommi, Barzilay, Regina, Jensen, Klavs, F. (2022). Generative Models for Molecular Design. Wiley Interdiscip. Rev. Comp. Mol. Sci. 12e1608. (Link)

   2021

6. Bilodeau, Camille, Jin, Wengong, Xu, Hongyun, Emerson, Jillian, Mukhopadhyay, Sukrit, Kalantar, Tom, Jaakkola, Tommi, Barzilay, Regina, Jensen, Klavs, F. (2021). Generating Molecules with Optimized Aqueous Solubility using Iterative Graph Translation. React. Chem. Eng., 7, 297-309. (Link)

7. Bilodeau, Camille, Lau, Edmond, Roush, David, Snyder, Mark, Cramer, Steven (2021). The Behavior of Water Near Multimodal Chromatography Ligands and its Consequences for Modulating Protein-Ligand Interactions. J. Phys. Chem. B., 125, 6612-6120. (Link)

8. Gudhka, Ronak, Vats, Mayank, Bilodeau, Camille, McCallum, Scott, McCoy, Mark, Roush, David, Snyder, Mark, Cramer, Steven (2021). Probing IgG1 Fc-Multimodal Nanonoparticle Interations: A Combined Nuclear Magnetic Resonance and Molecular Dynamic Simulations Approach. Langmuir, 37(41), 12188-12203 (Link)

   2020

9. Bilodeau, Camille, Lau, Edmond, Steven Cramer, Garde, Shekhar (2020). The Role of Ligand-Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation. Langmuir, 36, 9054-9063. (Link)

10. Bilodeau, Camille*, Vecchiarello, Nicholas*, Altern, Scott, Cramer, Steven (2020). Quantifying Product-Agnostic Separability and Orthogonality in Chromatography. J. Chrom. A., 1628,461429. (Link)

    *Equal contributions

11. Gudhka, Ronak B., Bilodeau, Camille, McCallum, Scott A., McCoy, Mark A., Roush, David J., Cramer Steven M. (2020). Identification of Preferred Multimodal Binding Regions on the Fc Domain of IgG1 using Nuclear Magnetic Resonance and Molecular Dynamics Simulations. Biotechnol. Bioeng., 118(2), 809-822. (Link)

12. Bennet, W.F. Drew, He, Stewart, Bilodeau, Camille L., Kim, Hyojin, Jones, Derek, Sun, Delin, Allen, Jonathan E., Lightstone, Felice C., Ingólfsson, Helgi I. Ingólfsson (2020). Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning. J. Chem. Inf. Model., 60(11), 5375-5381. (Link)

13. Fikret Aydin, Alireza Moradzadeh, Camille Bilodeau, Edmond Y. Lau, Eric Schwegler, Arayana Aluru, Tuan Anh Pham (2020). Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-p Interaction and Confinement. J. Chem. Theory Comput., 17(3), 1596-1605. (Link)

14. Sun, Delin, Bennet, He, Stewart,W. F. Drew, Bilodeau, Camille, Andersen, Olaf, Lightstone, Felic, Ingolfsson, Helgi I (2020). Atomistic Characterization of Gramicidin Channel Formation. J. Chem. Theory Comput., 17(1), 7-12. (Link)

15. Roush, David, Asthagiri, Dilip, Babi, Deenesh K., Benner, Steve, Bilodeau, Camille, Carta, Giorgio, Ernst, Philipp, Fedesco, Mark, Fitzgibbon, Sean, Flamm, Matthew (2020). Toward in silico CMC: An industrial collaborative approach to model-based process development. Biotechnol. Bioeng., 117(12), 3986-4000. (Link)

16. Steven Buchsbaum, Melinda Jue, April Sawvel, Chiatai Chen, Eric Meshot, Sei Jin Park, Marissa Wood, Kuang, Jen Wu, Camille Bilodeau, Anh Pham, Ed Lau, Francesco Fornasiero (2020). Fast Permeation of Small Ions in Carbon Nanotubes. Advanced Science, 8(3), 2001802. (Link)

    2019

17. Bilodeau, Camille, Lau, Edmond, Roush, David, Garde, Shekhar, Cramer, Steve (2019). Formation of Ligand Clusters on Multimodal Chromatographic Surfaces. Langmuir, 35(51), 16770-16779. (Link) (Journal Cover)

18. Bilodeau, Camille, Lau, Edmond, Cramer, Steven, Garde, Shekhar (2019). Conformational Equilibria of Multimodal Chromatography Ligands in Water. J. Chem. Phys. B., 123(23), 4833-4843. (Link)