Generative models for molecular discovery: Recent advances and challenges von Bilodeau, Camille, Jin, Wengong, Jaakkola, Tommi, Barzilay, Regina, Jensen, Klavs F.

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Effect of Monovalent Cations on the Structure and Dynamics of Multimodal Chromatographic Surfaces von Lau, Sabrina C., Bilodeau, Camille L.

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Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation−π Interaction, and Confinement von Aydin, Fikret, Moradzadeh, Alireza, Bilodeau, Camille L, Lau, Edmond Y, Schwegler, Eric, Aluru, Narayana R, Pham, Tuan Anh

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Quantifying orthogonality and separability: A method for optimizing resin selection and design von Bilodeau, Camille L., Vecchiarello, Nicholas A., Altern, Scott, Cramer, Steven M.

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Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back von Koscher, Brent A, Canty, Richard B, McDonald, Matthew A, Greenman, Kevin P, McGill, Charles J, Bilodeau, Camille L, Jin, Wengong, Wu, Haoyang, Vermeire, Florence H, Jin, Brooke, Hart, Travis, Kulesza, Timothy, Li, Shih-Cheng, Jaakkola, Tommi S, Barzilay, Regina, Gómez-Bombarelli, Rafael, Green, William H, Jensen, Klavs F

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Atomistic Characterization of Gramicidin Channel Formation von Sun, Delin, He, Stewart, Bennett, W. F. Drew, Bilodeau, Camille L, Andersen, Olaf S, Lightstone, Felice C, Ingólfsson, Helgi I

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The Role of Ligand–Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation von Bilodeau, Camille L, Lau, Edmond Y, Cramer, Steven M, Garde, Shekhar

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Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning von Bennett, W. F. Drew, He, Stewart, Bilodeau, Camille L, Jones, Derek, Sun, Delin, Kim, Hyojin, Allen, Jonathan E, Lightstone, Felice C, Ingólfsson, Helgi I

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Conformational Equilibria of Multimodal Chromatography Ligands in Water and Bound to Protein Surfaces von Bilodeau, Camille L, Lau, Edmond Y, Cramer, Steven M, Garde, Shekhar

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Formation of Ligand Clusters on Multimodal Chromatographic Surfaces von Bilodeau, Camille L, Lau, Edmond Y, Roush, David, Garde, Shekhar, Cramer, Steven M

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Behavior of Water Near Multimodal Chromatography Ligands and Its Consequences for Modulating Protein–Ligand Interactions von Bilodeau, Camille L, Lau, Edmond Y, Roush, David J, Snyder, Mark A, Cramer, Steven M

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Identification of preferred multimodal ligand‐binding regions on IgG1 FC using nuclear magnetic resonance and molecular dynamics simulations von Gudhka, Ronak B., Bilodeau, Camille L., McCallum, Scott A., McCoy, Mark A., Roush, David J., Snyder, Mark A., Cramer, Steven M.

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Probing IgG1 FC–Multimodal Nanoparticle Interactions: A Combined Nuclear Magnetic Resonance and Molecular Dynamics Simulations Approach von Gudhka, Ronak B, Vats, Mayank, Bilodeau, Camille L, McCallum, Scott A, McCoy, Mark A, Roush, David J, Snyder, Mark A, Cramer, Steven M

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Identification of preferred multimodal ligand-binding regions on IgG1 F C using nuclear magnetic resonance and molecular dynamics simulations von Gudhka, Ronak B, Bilodeau, Camille L, McCallum, Scott A, McCoy, Mark A, Roush, David J, Snyder, Mark A, Cramer, Steven M

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Fast Permeation of Small Ions in Carbon Nanotubes von Buchsbaum, Steven F., Jue, Melinda L., Sawvel, April M., Chen, Chiatai, Meshot, Eric R., Park, Sei Jin, Wood, Marissa, Wu, Kuang Jen, Bilodeau, Camille L., Aydin, Fikret, Pham, Tuan Anh, Lau, Edmond Y., Fornasiero, Francesco

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Machine learning for predicting the viscosity of binary liquid mixtures von Bilodeau, Camille, Kazakov, Andrei, Mukhopadhyay, Sukrit, Emerson, Jillian, Kalantar, Tom, Muzny, Chris, Jensen, Klavs

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The Effects of Ligand Structure on Protein-Multimodal Ligand Interactions von Bilodeau, Camille, Lau, Edmond Y., Cramer, Steve, Garde, Shekhar

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PepMNet: a hybrid deep learning model for predicting peptide properties using hierarchical graph representations von Garzon Otero, Daniel, Akbari, Omid, Bilodeau, Camille

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PDA management strategies and pulmonary hypertension in extreme preterm infants with bronchopulmonary dysplasia von Hébert, Audrey, McNamara, Patrick J., Carvalho Nunes, Gabriela De, Maltais-Bilodeau, Camille, Leclerc, Marie-Ève, Wutthigate, Punnanee, Simoneau, Jessica, Drolet, Christine, Altit, Gabriel

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Probing IgG1 F C –Multimodal Nanoparticle Interactions: A Combined Nuclear Magnetic Resonance and Molecular Dynamics Simulations Approach von Gudhka, Ronak B., Vats, Mayank, Bilodeau, Camille L., McCallum, Scott A., McCoy, Mark A., Roush, David J., Snyder, Mark A., Cramer, Steven M.

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