Jim Pfaendtner

Fischer, S. A., Roeters, S. J., Meuzelaar, H., Woutersen, S., Weidner, T., & Pfaendtner, J. (2024). Estimation of vibrational spectra of Trp-cage protein from nonequilibrium metadynamics simulations. BIOPHYSICAL JOURNAL, 123(20), 3500–3506. https://doi.org/10.1016/j.bpj.2024.08.015

Torkelson, K., & Pfaendtner, J. (2024, September 18). Exploration of Tertiary Structure in Sequence-Defined Polymers Using Molecular Dynamics Simulations. BIOMACROMOLECULES, Vol. 9. https://doi.org/10.1021/acs.biomac.4c00527

Qi, X., & Pfaendtner, J. (2024, March 19). High-Throughput Computational Screening of Solid-Binding Peptides. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Vol. 3. https://doi.org/10.1021/acs.jctc.3c01286

Waggett, A., & Pfaendtner, J. (2024, August 14). Hydrophobic Residues Promote Interfacial Activation of <i>Candida rugosa</i> Lipase: A Study of Rotational Dynamics. LANGMUIR, Vol. 8. https://doi.org/10.1021/acs.langmuir.4c02174

Mao, C. M., Sampath, J., & Pfaendtner, J. (2024, May 14). Molecular Driving Forces in the Self-Association of Silaffin Peptide R5 from MD Simulations. CHEMBIOCHEM, Vol. 5. https://doi.org/10.1002/cbic.202300788

Torkelson, K., Naser, N. Y., Qi, X., Li, Z., Yang, W., Pushpavanam, K., … Pfaendtner, J. (2024). Rational Design of Novel Biomimetic Sequence-Defined Polymers for Mineralization Applications. CHEMISTRY OF MATERIALS, 36(2), 786–794. https://doi.org/10.1021/acs.chemmater.3c02216

Sanghavi, R., Intan, N. N., Xie, S., Lin, H., & Pfaendtner, J. (2024). Reaction Pathway Analysis of PET Deconstruction via Methanolysis and Tertiary Amine Catalysts. JOURNAL OF PHYSICAL CHEMISTRY A, 128(29), 5883–5891. https://doi.org/10.1021/acs.jpca.4c02276

Zorman, M., Phillips, C., Shi, C., Zhang, S., De Yoreo, J., & Pfaendtner, J. (2024, February 29). Thermodynamic Analysis of Silk Fibroin-Graphite Hybrid Materials and Their Morphology. JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 2. https://doi.org/10.1021/acs.jpcb.3c08147

Shi, C., Zorman, M., Zhao, X., Salmeron, M. B., Pfaendtner, J., Liu, X. Y., … De Yoreo, J. J. (2024). Two-dimensional silk. SCIENCE ADVANCES, 10(38). https://doi.org/10.1126/sciadv.ado4142

Intan, N. N., & Pfaendtner, J. (2023). Role of Surface Features on the Initial Dissolution of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study. ACS NANO, 17(22), 22371–22387. https://doi.org/10.1021/acsnano.3c04601

Summers, S., Kraft, C., Alamdari, S., Pfaendtner, J., & Kaar, J. L. (2020). Enhanced Activity and Stability of Acidothermus cellulolyticus Endoglucanase 1 in Ionic Liquids via Engineering Active Site Residues and Non-Native Disulfide Bridges. ACS Sustainable Chemistry & Engineering, 8(30), 11299–11307. https://doi.org/10.1021/acssuschemeng.0c03242

Beckner, W., Mao, C. M., & Pfaendtner, J. (2018). Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions. Molecular Systems Design & Engineering, 3(1), 253–263. https://doi.org/10.1039/c7me00094d

Tung, H.-J., & Pfaendtner, J. (2016). Kinetics and mechanism of ionic-liquid induced protein unfolding: application to the model protein HP35. Molecular Systems Design & Engineering, 1(4), 382–390. https://doi.org/10.1039/c6me00047a