PUBLICATIONS
83.​ Berlaga, A., K. Torkelson, A. Seal, J. Pfaendtner, and A.L. Ferguson. (2024). A Modular and Extensible CHARMM-Compatible Model for All-Atom Simulation of Polypeptoids. J Chem Phys. 161(24): 244901. DOI: https://doi.org/10.1063/5.0238570.
82.​ Lowe, C., H. Larson, Y. Cai, H.T. Chiang, L.D. Pozzo, F. Baneyx and B.M. Cossairt. (2024). Induced Chirality in QDs Using Thermoresponsive Elastin-like Polypeptides. Langmuir. 41 (1): 1047–1056. DOI: https://doi.org/10.1021/acs.langmuir.4c04339
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81.​ Biswas, A., M. Valleti, R. Vasudevan, M. Ziatdinov, and S. V. Kalinin. (2024). Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization. ASME. J. Comput. Inf. Sci. Eng. 24(12): 121005. DOI: https://doi.org/10.1115/1.4066856
80. Jin, B., Y. Chen, H. Pyles, M. D. Baer, B. A. Legg, Z. Wang, N. M. Washton, K. T. Mueller, D. Baker, G. K. Schenter, C. J. Mundy, and J. J. De Yoreo. (2024). Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate. Nat. Mater. (2024). DOI: https://doi.org/10.1038/s41563-024-02025-5
79. ​Naser, N., W. Wixson, H. Larson, B. Cossairt, L.D. Pozzo and F. Baneyx. (2024). Biomimetic Mineralization of Positively Charged Silica Nanoparticles Templated by Thermoresponsive Protein Micelles: Applications to Electrostatic Assembly of Hierarchical and Composite Superstructures. Soft Matter, 21:166-178. DOI: https://doi.org/10.1039/D4SM00907J
78. ​Valleti, M., M. Ziatdinov, Y. Liu, and S.V. Kalinin. (2024). Physics and Chemistry from Parsimonious Representations: Image Analysis via Invariant Variational Autoencoders. npj Computational Materials. 10, 183. DOI: https://doi.org/10.1038/s41524-024-01250-5
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​77. Shi, C., M. Zorman, X. Zhao, M. B. Salmeron, J. Pfaendtner, XY. Liu, S. Zhang, and J.J. De Yoreo. (2024). Two dimensional silk. Science Advances, eado4142, 10. DOI: 10.1126/sciadv.ado4142.
​76. Chiang, HT., K. Vaddi, and L.D. Pozzo (2024). Data-driven exploration of silver nanoplate formation in multidimensional chemical design spaces. Digital Discovery. DOI: 10.1039/d4dd00211c
​75. Slautin, B. N., Y. Liu, H. Funakubo, R. Vasudevan, M. Ziatdinov, and S. V. Kalinin (2024). Bayesian Co-navigation: Dynamic Designing of the Materials Digital Twins via Active Learning. ACS Nano, 18: 24898–24908. DOI: https://doi.org/10.1021/acsnano.4c05368
​74. Ziatdinov, M.A., M.Y. Yaman, Y. Liu, D. Ginger, and S.V. Kalinin. (2024). Semi-supervised learning of images with strong rotational disorder: Assembling nanoparticle libraries. Digital Discovery, 3, 1213-1220. DOI: 10.1039/D3DD00196B
​73. Roccapriore, K.M., R. Torsi, J.A. Robinson, S.V. Kalinin, and M. Ziatdinov. (2024). Dynamic STEM-EELS for single-atom and defect measurement during electron beam transformations. Science Advances, eadn5899, 10. DOI: 10.1126/sciadv.adn5899
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​72. Liu, Y., BD. Huey, M. Ziatdinov, and S.V. Kalinin. (2024). Physical discovery in representation learning via conditioning on prior knowledge. J. Appl. Phys, 136: 064902. DOI: 10.1063/5.0222403​
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71. M. Valleti, R.K. Vasudevan, M.A. Ziatdinov, and S.V. Kalinin. (2024). Deep kernel methods learn better: From cards to process optimization. Machine Learning Science & Technology, 5: 015012. DOI: 10.1088/2632-2153/ad1a4f
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​70. Shao L., D. Hu, SL. Zheng, TKH. Trinh, W. Zhou, H. Wang, Y. Zong, C. Li, and CL Chen. (2024). Hierarchical Self-Assembly of Multidimensional Functional Materials from Sequence-Defined Peptoids. Angew. Chem. Int. Ed, e202403263, 63. DOI: 10.1002/anie.202403263
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69. Cai, Y., N. Naser, J. Ma, and F. Baneyx. (2024). Precision loading and delivery of molecular cargo by size-controlled coacervation of gold nanoparticles functionalized with elastin-like peptides. Biomacromolecules, 25: 2390-2398. DOI: 10.1021/acs.biomac.3c01312
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​68. Zheng, R., M. Zhao, JS. Du, TR. Sudarshan, Y. Zhou, AK. Paravastu, J.J. De Yoreo, A.L. Ferguson, and CL Chen. (2024) Assembly of short amphiphilic peptoids into nanohelices with controllable supramolecular chirality. Nat Commun, 15: 3264. DOI: 10.1038/s41467-024-46839-y
​67. Shen, H., E.M. Lynch, S. Akkineni, J.L. Watson, J. Decarreau, N.P. Bethel, I. Benna, W. Sheffler, D. Farrell, F. DiMaio, E. Derivery, J.J. De Yoreo, J. Kollman, and D. Baker. (2024). De novo design of pH-responsive self-assembling helical protein filaments. Nature Nanotechnology, 19: 1016–1021. DOI: 10.1038/s41565-024-01641-1
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66. Smith, B.R., B. Pant, Y. Liu, J-C. Yang, S. Jesse, A. Khojandi, S.V. Kalinin, Y. Cao, and R.K. Vasudevan. (2024). Physics-informed models of domain-wall dynamics as a route for autonomous domain wall design via reinforcement learning. Digital Discovery, 3: 456-466. DOI: 10.1039/D3DD00126A
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​65. Cai, Y., X. Qi, J. Boese, Y. Zhao, B. Hellner, J. Chun, C. Mundy, and F. Baneyx. (2024). Towards predictive control of reversible nanoparticle assembly with solid-binding proteins. Soft Matter, 20: 1935-1942. DOI: 10.1039/D4SM00094C
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64. Du, J., Y. Bae, and J.J. De Yoreo. (2024). Non-classical crystallization in soft and organic materials. Nature Reviews Materials. 9: 229–248. DOI: 10.1038/s41578-023-00637-ys
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63. Torkelson, K., N.Y. Naser, X. Qi, Z. Li, W. Yang, K. Pushpavanam, CL. Chen, F. Baneyx, and J. Pfaendtner. (2024). Rational design of novel biomimetic sequence-defined polymers for mineralization applications. Chemistry of Materials, 36: 786-794. DOI: 10.1021/acs.chemmater.3c02216.
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62. Lachowski, K.J., HT. Chiang, K. Torkelson, W. Zhou, S. Zhang, J. Pfaendtner, and LD. Pozzo. (2023). Anisotropic gold nanomaterial synthesis using peptide facet specificity and timed intervention. Langmuir, 39: 15878-15888. DOI: 10.1021/acs.langmuir.3c01577
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61. Davila-Hernandez, F.A., B. Jin, H. Pyles, S. Zhang, Z. Wang, T.F. Huddy, A.K. Bera, A. Kang, CL. Chen, J.J. De Yoreo, and D. Baker. (2023). Directing polymorph specific calcium carbonate formation with de novo protein templates. Nature Communications, 14: 1-11. DOI: 10.1038/s41467-023-43608-1
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60. Yang, W., B. Cai, K.J. Lachowski, Q. Yin, J.J. De Yoreo, L.D. Pozzo, and CL Chen. (2023). Insights into the biomimetic synthesis of 2D ZnO nanomaterials through peptoid engineering. Journal of Physical Chemistry Letters, 14: 9732-9739. DOI: 10.1021/acs.jpclett.3c01882
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​59. Jin, B., Y. Chen, J. Tao, K.J. Lachowski, M.E. Bowden, Z. Zhang, L.D. Pozzo, N.M. Washton, K.T. Mueller, and J.J. De Yoreo. (2023). Multi-step nucleation of a crystalline silicate framework via a structurally precise prenucleation cluster. Angewandte Chemie, 62: 1-7. DOI: 10.1002/anie.202303770
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​58. Schmid, S.Y., K. Lachowski, HT. Chiang, L. Pozzo, J.J. De Yoreo, and S. Zhang. (2023). Mechanisms of biomolecular self-assembly investigated through in situ observations of structures and dynamics. Angewandte Chemie, 62: 1-29. DOI: 10.1002/anie.202309725
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​57. Larson, H. and B. Cossairt. (2023). Indium-poly(carboxylic acid) ligand interactions modify InP quantum dot nucleation and growth. Chemistry of Materials, 35: 6152-6160. DOI: 10.1021/acs.chemmater.3c01309
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56. Alamdari, S. and J. Pfaendtner. (2023). Origins of conformational heterogeneity in peptoid helices formed by chiral N-1 phenylethyl sidechains. Journal of Physical Chemistry B, 127: 6163-6170. DOI: 10.1021/acs.jpcb.3c02576
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55. Alamdari, S., K. Torkelson, X. Wang, C-L. Chen, A.L. Ferguson, and J. Pfaendtner. (2023). Thermodynamic basis for stabilization of helical peptoids by chiral sidechains. Journal of Physical Chemistry B, 127: 6171-6183. DOI: 10.1021/acs.jpcb.3c01913
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​54. Zhao, M., S. Zhang, R. Zheng, S. Alamdari, C.J. Mundy, J. Pfaendtner, L. Pozzo, C-L. Chen, J.J. De Yoreo, and A.L. Ferguson. (2023). Computational and experimental determination of the properties, structure, and stability of peptoid nanosheets and nanotubes. Biomacromolecules, 24: 2618-2632. DOI: 10.1021/acs.biomac.3c00107
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53. Yaman, M.Y., S.V. Kalinin, K.N. Guye, D.S. Ginger, and M. Ziatdinov. (2023). Learning and predicting photonic responses of plasmonic nanoparticle assemblies via dual variational autoencoders. Small, 19: 2205893. DOI: 10.1002/smll.202205893
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​52. Biswas, A., R. Vasudevan, M. Ziatdinov, and S.V. Kalinin. (2023). Optimizing training trajectories in variational autoencoders via latent Bayesian optimization approach. Machine Learning Science and Technology, 4: 1-15. DOI: 10.1088/2632-2153/acb316.
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​51. Alberstein, R.G., J.L. Prelesnik, E. Nazouki, S. Zhang, J.J. De Yoreo, J. Pfaendtner, F.A. Tezcan, and C.J. Mundy. (2023). Discrete orientations of interfacial waters direct crystallization of mica-binding proteins. Journal of Physical Chemistry Letters, 14: 80-87. DOI: 10.1021/acs.jpclett.2c02948.
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​50. Yang, W., Y. Zhou, B. Jin, X. Qi, B. Cai, Q. Yin, J. Pfaendtner, J.J. De Yoreo, and C-L Chen. (2023). Designing sequence-defined peptoids for fibrillar self-assembly and silicification. Journal of Colloid and Interface Science, 634: 450-459. DOI: 10.1016/j.jcis.2022.11.136.
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​49. Shao, L., J. Ma, J.L. Prelesnik, Y. Zhou, M. Nguyen, M. Zhao, S.A. Jenekhe, S.V. Kalinin, A.L. Ferguson, J. Pfaendtner, C.J. Mundy, J.J. De Yoreo, F. Baneyx, and C-L Chen. (2022). Hierarchical materials from high information content macromolecular building blocks: Construction, dynamic interventions, and prediction. Chemical Reviews, 122: 17397-17478. DOI: 10.1021/acs/chemrev.2c00220.
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​48. Valetti, M., R.K. Vasudevan, M.A. Ziatdinov, and S.V. Kalinin. (2022). Bayesian optimization in continuous spaces via virtual process embeddings. Digital Discovery, 1: 910-925. DOI: 10.1039/D2DD00065B.
47. J. Ma, B. Jin, K. N. Guye, M. E. Chowdhury, N. Y. Naser, C.-L. Chen, J. J. De Yoreo, and F. Baneyx. (2023). Controlling Mineralization with Protein-Functionalized Peptoid Nanotubes. Adv. Mater, 35, 2207543. DOI: 10.1002/adma.202207543.
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46. Vaddi, K., H.T. Chiang, and L.D. Pozzo. (2022). Autonomous retrosynthesis of gold nanoparticles via spectral shape matching. Digital Discovery, 1: 502-510. DOI: 10.1039/D2DD00025C.
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​45. Lachowski, K., K. Vaddi, N. Naser, F. Baneyx, and L.D. Pozzo. (2022). Multivariate analysis of peptide-driven nucleation and growth of Au nanoparticles. Digital Discovery, 1: 427-439. DOI: 10.1039/D2DD00017B.
44. Jian, T., Y. Zhou, P. Wang, W. Yang, P. Mu, X. Zhang, X. Zhang, and C-L Chen. (2022). Highly stable and tunable peptoid/hemin enzymatic mimetics with natural peroxidase-like activities. Nature Communications, 13: 1-13. DOI: 10.1038/s41467-022-30285-9.
43. Monahan, M., M. Homer, S. Zhang, R. Zheng, C-L Chen, J.J. De Yoreo, and B.M. Cossairt. (2022). Impact of nanoparticle size and surface chemistry on peptoid self-assembly. ACS Nano, 16: 8095-8106. DOI: 10.1021/acsnano.2c01203.
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42. Zhang, S., R. Sadre, B.A. Legg, H. Pyles, T. Perciano, E.W. Bethel, D. Baker, O. Rubel, and J.J. De Yoreo. (2022). Rotational dynamics and transition mechanisms of surface-adsorbed proteins. Proceedings of the National Academy of Sciences, 119: 1-10. DOI: 10.1073/pnas.2020242119
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​41. Jin, B., F. Yan, X. Qi, B. Cai, J. Tao, X. Fu, S. Tan, P. Zhang, J. Pfaendtner, N.Y. Naser, F. Baneyx, X. Zhang, J.J. De Yoreo, and C-L Chen. (2022). Peptoid-directed formation of five-fold twinned Au nanostars through particle attachment and facet stabilization. Angewandte Chemie, 61: 1-11. DOI: 10.1002.anie.202201980
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​40. Ziatdinov, M., A. Ghosh, and S.V. Kalinin. (2022). Physics makes the difference: Bayesian optimization and active learning via augmented Gaussian process. Machine Learning Science and Technology, 3: 1-10. DOI: 10.1088/2632-2153/ac4baa
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​39. Qi, X., Y. Zhao, K. Lachowski, J. Boese, Y. Cai, O. Dollar, B. Hellner, L. Pozzo, J. Pfaendtner, J. Chun, F. Baneyx, and C.J. Mundy. (2022). Predictive theoretical framework for dynamic control of bioinspired hybrid nanoparticle self-assembly. ACS Nano, 16: 1919-1928. DOI: 10.1021/acsnano.1c04923
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38. Li, Z., D.K. Tran, M. Nguyen, T. Jian, F. Yan, S.A. Jenekhe, and C-L Chen. (2022). Amphiphilic peptoid directed self-assembly of oligoanilines into highly crystalline conducting nanotubes. Macro-Molecular Rapid Communications, 43: 1-9. DOI: 10.1002/marc.202100639
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​37. Zhao, M., K.J. Lachowski, S. Zhang, S. Alamdari, J. Sampath, P. Mu, C.J. Mundy, J. Pfaendtner, J.J. De Yoreo, C-L Chen, L.D. Pozzo, and A.L. Ferguson. (2022). Hierarchical self-assembly pathways of peptoid helices and sheets. Biomacromolecules, 23: 992-1008. DOI: 10.1021/acs.biomac.1c01385
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36. Morozovska, A.N., E.A. Eliseev, A. Biswas, N.V. Morozovsky, and S.V. Kalinin. (2021). Effect of surface ionic screening on polarization reversal and phase diagrams in thin antiferroelectric films for information and energy storage. Physical Review Applied, 16: 1-18. DOI: 10.1103/PhysRevApplied.16.044053
​35. Biswas, A., A.N. Morozovska, M. Ziatdinov, E.A. Eliseev, and S.V. Kalinin. (2021). Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications. Journal of Applied Physics, 130: 1-20. DOI: 10.1063/5.0068903
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34. Zhao, M. (2021). Hierarchical assemblies of polypeptoids for rational design of advanced functional nanomaterials. Biopolymers, 112: 1-14. DOI: 10.1002/bip.23469
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​33. Zhu, J., N. Avakyan, A. Kakkis, A. Hoffnagle, K. Han, Y. Li, Z. Zhang, T. Choi, Y. Na, C-J Yu, and F.A. Tezcan. (2021). Protein assembly by design. Chemical Reviews, 121: 13701-13796. DOI: 10.1021/acs.chemrev.1c00308
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​32. Li, Z., B. Cai, W. Yang, and C-L Chen. (2021). Hierarchical nanomaterials assembled from peptoids and other sequence-defined synthetic polymers. Chemical Reviews, 121: 14031-14087. DOI: 10.1021/acs.chemrev.1c00024
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31. Lee, D.C., K.N. Guye, R.K. Paranji, K. Lachowski, L.D. Pozzo, D.S. Ginger, and S.H. Pun. (2021). Dual-stimuli responsive single-chain polymer folding via intrachain complexation of tetramethoxyazobenzene and β-cyclodextrin. Langmuir, 37: 10126-10134. DOI: 10.1021/acs.langmuir.1c01442
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​30. Muckel, F., K.N. Guye, S.M. Gallagher, Y. Liu, and D.S. Ginger. (2021). Tuning hybrid exciton-photon fano resonances in two-dimensional organic-inorganic perovskite thin films. Nano Letters, 21: 6124-6131. DOI: 10.1021/acs.nanolett.1c01504
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29. Guye, K.N., H. Shen, M.Y. Yaman, G.Y. Liao, D. Baker, and D.S. Ginger. (2021). Importance of substrate-particle repulsion for protein-templated assembly of metal nanoparticles. Langmuir, 37: 9111-9119. DOI: 10.1021/acs.langmuir.1c01194
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​28. Yaman, M.Y., K.N. Guye, M. Ziatdinov, H. Shen, D. Baker, S.V. Kalinin, and D.S. Ginger. (2021). Alignment of Au nanorods along de novo designed protein nanofibers studied with automated image analysis. Soft Matter, 17: 6109-6115. DOI: 10.1039/D1SM00645B
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​27. Yang, W., Q. Yin and C-L Chen. (2021). Designing sequence-defined peptoids for biomimetic control over inorganic crystallization. Chemistry of Materials, 33: 3047-3065. DOI: 10.1021/acs.chemmater.1c00243
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​26. Prelesnik, J.L., R.G. Alberstein, S. Zhang, H. Pyles, D. Baker, J. Pfaendtner, J.J. De Yoreo, F.A. Tezcan, R.C. Remsing, and C.J. Mundy. (2021). Ion-dependent protein-surface interactions from intrinsic solvent response. Proceedings of the National Academy of Sciences, 118: 1-9. DOI: 10.1073/pnas.2025121118
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​25. Pushpavanam, K., B. Hellner, and F. Baneyx. (2021). Interrogating biomineralization one amino acid at a time: Amplification of mutational effects in protein-aided titania morphogenesis through reaction-diffusion control. Chemical Communications, 57: 4803-4806. DOI: 10.1039/D1CC01521D
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​24. Pushpavanam, K., J. Ma, Y. Cai, N.Y. Naser, and F. Baneyx. (2021). Solid-binding proteins: Bridging synthesis, assembly, and function in hybrid and hierarchical materials fabrication. Annual Review of Chemical and Biomolecular Engineering, 12: 333-357. DOI: 10.1146/annurev-chembioeng-102020-015923
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​23. Wang, M., Y. Song, S. Zhang, X. Zhang, X. Cai, Y. Lin, J.J. De Yoreo, and C-L Chen. (2021). Programmable two-dimensional nanocrystals assembled from POSS-containing peptoids as highly efficient artificial light-harvesting systems. Science Advances, 7: 1-8. DOI: 10.1126/sciadv.abg1448
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​22. Kalinin, S.V., S. Zhang, M. Valetti, H. Pyles, D. Baker, J.J. De Yoreo, and M. Ziatdinov. (2021). Disentangling rotational dynamics and ordering transitions in a system of self-organizing protein nanorods via rotationally invariant latent representations. ACS Nano, 15: 6471-6480. DOI: 10.1021/acsnano.0c08914
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​21. Ma, J., B. Cai, S. Zhang, T. Jian, J.J. De Yoreo, C-L Chen, and F. Baneyx. (2021). Nanoparticle-mediated assembly of peptoid naonsheets functionalized with solid-binding proteins: Designing heterostructures for hierarchy. Nano Letters, 21: 1636-1642. DOI: 10.1021/acs.nanolett.0c04285
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20. Monahan, M., B. Cai, T. Jian, S. Zhang, G. Zhu, C-L Chen, J.J. De Yoreo, and B. Cossairt. (2021). Peptoid-directed assembly of CdSe Nanoparticles. Nanoscale, 13: 1273-1282. DOI: 10.1039/D0NR07509D
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19. Ziatdinov, M., S. Zhang, O. Dollar, J. Pfaendtner, C.J. Mundy, X. Li, H. Pyles, D. Baker, J.J. De Yoreo, and S.V. Kalinin. (2021). Quantifying the dynamics of protein self-organization using deep learning analysis of atomic force microscopy data. Nano Letters, 21: 158-165. DOI: 10.1021/acs.nanolett.0c03447
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18. Cai, B., Z. Li, and C-L Chen. (2021). Programming amphiphilic peptoid oligomers for hierarchical assembly and inorganic crystallization. Accounts of Chemical Research, 54: 81-91. DOI: 10.1021/acs.accounts.0c00533
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17. Alamdari, S., S.J. Roeters, T.W. Golbek, L. Schmüser, T. Weidner, and J. Pfaendtner. (2020). Orientation and conformation of proteins at the air-water interface determined from integrative molecular dynamics simulations and sum frequency generation spectroscopy. Langmuir, 36: 11855-11865. DOI: 10.1021/acs.langmuir.0c01881
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16. Sampath, J., S. Alamdari, and J. Pfaendtner. (2020). Closing the gap between modeling and experiments in the self-assembly of biomolecules at interfaces and in solution. Chemistry of Materials, 32: 8043-8059. DOI: 10.1021/acs.chemmater.0c01891
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15. Zhao, M., J. Sampath, S. Alamdari, G. Shen, C- Chen, C.J. Mundy, J. Pfaendtner, and A.L. Ferguson. (2020). MARTINI-compatible coarse-grained model for the mesoscale simulation of peptoids. The Journal of Physical Chemistry B, 124: 7745-7764. DOI: 10.1021/acs.jpcb.0c04567
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14. Wang, M., Y. Song, P. Mu, X. Cai, Y. Lin, and C-L Chen. (2020). Peptoid-based programmable 2D nanomaterial sensor for selective and sensitive detection of H2S in live cells. ACS Applied Bio Materials, 3: 6039-6048. DOI: 10.1021/acsabm.0c00657
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13. Ritchhart, A., M. Monahan, J. Mars, M.F. Toney, J.J. De Yoreo, and B.M. Cossairt. (2020). Covalently linked, two-dimensional quantum dot assemblies. Langmuir, 36: 9944-9951. DOI: 10.1021/acs.langmuir.0c01668
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12. Zhang, S., R.G. Alberstein, J.J. De Yoreo, and F.A. Tezcan. (2020). Assembly of a patchy protein into variable 2D lattices via tunable multiscale interactions. Nature Communications, 11: 1-12. DOI: 10.1038/s41467-020-17562-1
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11. Zhang, S., J. Chen, J.Liu, H. Pyles, D. Baker, C-L Chen, and J.J. De Yoreo. (2020). Engineering biomolecular self-assembly at solid-liquid interfaces. Advanced Materials (online). DOI: 10.1002/adma.201905784
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10. Hellner, B., A.E. Stegmann, K. Pushpavanam, M.J. Bailey, and F. Baneyx. (2020). Phase control of nanocrystalline inclusions in bioprecipitated titania with a panel of mutant silica-binding proteins. Langmuir, 36: 8503-8510. DOI: 10.1021/acs.langmuir.0c01108
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9. Liu, J., B. Cai, L. Cui, and C-L Chen. (2020). Peptoid-based hierarchically-structured biomimetic nanomaterials: Synthesis, characterization and applications. Science China Materials, 63: 1099-1112. DOI: 10.1007/s40843-020-1296-8
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8. Sampath, J., A. Kullman, R. Gebhart, G. Drobny, and J. Pfaendtner. (2020). Molecular recognition and specificity of biomolecules to titanium dioxide from molecular dynamics simulations. npj Computational Materials, 6: 1-8. DOI: 10.1038/s41524-020-0288-7
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7. Li, X., D. Kim, S.M. Neumayer, M. Ahmadi, and S.V. Kalinin. (2020). Estimating presiach density via subset selection. IEEE Access, 8: 61767-61774. DOI: 10.1109/ACCESS.2020.2983364
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6. Hellner, B., S. Alamdari, H. Pyles, S. Zhang, A. Prakash, K.G. Sprenger, J.J. De Yoreo, D. Baker, J. Pfaendtner, and F. Baneyx. (2020). Sequence-structure-binding relationships reveal adhesion behavior of the Car9 solid-binding peptide: An integrated experimental and simulation study. Journal of the American Chemical Society, 142: 2355-2363. DOI: 10.1021/jacs.9b11617
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5. Luo, Y., Y. Song, M. Wang, T. Jian, S. Ding, P. Mu, Z. Liao, Q. Shi, X. Cai, H. Jin, D. Du, W-J Dong, C-L Chen, and Y. Lin. (2019). Bioinspired peptoid nanotubes for targeted tumor cell imaging and chemo-photodynamic therapy. Small, 15: 1-8. DOI: 10.1002/smll.201902485
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4. Sampath, J. and J. Pfaendtner. (2019). Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations. Molecular Physics, 117: 3642-3650. DOI: 10.1080/00268976.2019.1657192
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3. Pyles, H., S. Zhang, J.J. De Yoreo, and D. Baker. (2019). Controlling protein assembly on inorganic crystals through designed protein interfaces. Nature, 571: 251-256. DOI: 10.1038/s41586-019-1361-6
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2. Hellner, B., S.B. Lee, A. Subramaniam, V.R. Subramanian, and F. Baneyx. (2019). Modeling the cooperative adsorption of solid-binding proteins on silica: Molecular insights from surface plasmon resonance measurements. Langmuir, 35: 5013-5020. DOI: 10.1021/acs.langmuir.9b00283
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1. Dunakey, S.J.G., B.L. Coyle, A. Thomas, M. Xu, B.J.F. Swift, and F. Baneyx. (2019). Selective labeling and decoration of the ends and sidewalls of single-walled carbon nanotubes using mono- and bispecific solid-binding fluorescent proteins. Bioconjugate Chemistry, 30: 959-965. DOI: 10.1021/acs.bioconjchem.9b00097
SUBMITTED AND ACCEPTED PAPERS
The following papers have been submitted for publication in peer-reviewed journals.
Alternate InP Synthesis with Aminophosphines: Solution-Liquid-Solid Nanowire Growth. Helen C. Larson, Zhixing Lin, François Baneyx, Brandi M. Cossairt. (Submitted)
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Impact of Colloidal Forces and Broken Symmetry on the Design of a Protein-Material Interface. Sakshi Yadav Schmid, Benjamin Helfrecht, Amy Stegmann, Benjamin A. Legg, Harley Pyles, Jiajun Chen, John R. Edison, Maxim Ziatdinov, Zdenek Preisler, Orion Dollar, Stephen Whitelam, Sergei Kalinin, David Baker, Christopher J. Mundy, Shuai Zhang, and James De Yoreo. (Submitted)
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Design of Light- and Chemically-Responsive Protein Assemblies through Host-Guest Interactions. Zhiyin Zhang, Huat T. Chiang, Ying Xia, Nicole Avakyan, Ravi R. Sonani, Fengbin Wang, Edward H. Egelman, James J. De Yoreo, Lilo D. Pozzo, and F. Akif Tezcan. (Submitted)
Macroscale-Area Patterning of Three-Dimensional DNA-Programmable Frameworks. Feiyue Teng, Honghu Zhang, Dmytro Nykypanchuk, Ruipeng Li, Lin Yang, Nikhil Tiwale, Zhaoyi Xi, Mingzhao Liu, Mingxin He, and Oleg Gang. (Submitted)​​
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Invariant Discovery of Features Across Multiple Length Scales: Applications in Microscopy and Autonomous Materials Characterization. Aditya Raghavan, Utkarsh Pratiush, Mani Valleti, Richard Liu, Reece Emery, Hiroshi Funakubo, Yongtao Liu, Philip Rack, Sergei Kalinin. (Submitted)
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Active Deep Kernel Learning of Molecular Functionalities: Realizing Dynamic Structural Embeddings. Ghosh, A., M. Ziatdinov, and S.V. Kalinin. (Submitted)