Publications of Luis André Baptista

Sevilla, M.; Baptista, L. A.; Kremer, K.; Cortes Huerto, R.: Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical molecular dynamics simulations. The Journal of Chemical Physics 162 (8), 080901 (2025)

Jeena, M. T.; Link, J.; Zhang, J.; Harley, I.; Turunen, P.; Graf, R.; Wagner, M.; Baptista, L. A.; Jonker, H. R. A.; Cui, L. et al.; Lieberwirth, I.; Landfester, K.; Rao, J.; Ng, D. Y. W.; Weil, T.: Chaperone-Derived Copper(I)-Binding Peptide Nanofibers Disrupt Copper Homeostasis in Cancer Cells. Angewandte Chemie, International Edition in English 63 (51), e202412477 (2024)

Jeena, M. T.; Link, J.; Zhang, J.; Harley, I.; Turunen, P.; Graf, R.; Wagner, M.; Baptista, L. A.; Jonker, H. R. A.; Cui, L. et al.; Lieberwirth, I.; Landfester, K.; Rao, J.; Ng, D. Y. W.; Weil, T.: Chaperon-Abgeleitete Kupfer(I)-Bindende Peptidnanofibrillen stören die Kupferhomöostase in Krebszellen. Angewandte Chemie, International Edition in English 136 (51), e202412477 (2024)

Mazzotta, F.; Gačanin, J.; Baptista, L. A.; Landfester, K.; Weil, T.; Lieberwirth, I.: Unraveling Structural Characteristics of Honeycomb Amyloid Self-Assembling Peptide: HONEY ASAP! Microscopy and Microanalysis 30 (Supplement 1), ozae044.355 (2024)

Prajapati, V. D.; Prajapati, R. V.; Purohit, V. B.; Baptista, L. A.; Avalani, J. R.; Sapariya, N. H.; Karad, S. C.; Raval, D. K.: Transition-metal-free direct arylselenation of 1-aryl-3-methyl pyrazolones using diselenides. Tetrahedron 151, 133783 (2024)

Baptista, L. A.; Sevilla, M.; Wagner, M.; Kremer, K.; Cortes Huerto, R.: Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol. European Physical Journal E 46 (11), 117 (2023)

Arenhart Soares, F.; Martinez-Denegri, G.; Baptista, L. A.; Ślęczkowski, P.; Steinbüchel, A.: Balancing the Push-Pull Effect on the Synthesis and Fluorescent Properties of New ESIPT Dyes for Thin Film Applications. The Journal of Physical Chemistry C 127 (35), pp. 17624 - 17636 (2023)

Baptista, L. A.; Zhao, Y.; Kremer, K.; Mukherji, D.; Cortes-Huerto, R.: Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? ACS Macro Letters 12 (7), pp. 841 - 847 (2023)

Prajapati, R. V. V.; Prajapati, V. D. D.; Purohit, V. B. B.; Baptista, L. A.; Avalani, J. R. R.; Sapariya, N. H. H.; Karad, S. C. C.; Raval, D. K. K.: N-Chlorosuccinimide Mediated Direct C-H Thiocyanation of 1-Aryl-5-pyrazolones at Room Temperature. ChemistrySelect 8 (22), e202301018 (2023)

Wadgaonkar, S. P.; Wagner, M.; Baptista, L. A.; Cortes Huerto, R.; Frey, H.; Müller, A. H. E.: Anionic Polymerization of the Terpene-Based Diene beta-Ocimene: Complex Mechanism Due to Stereoisomer Reactivities. Macromolecules 56 (2), pp. 664 - 677 (2023)

Báez-Cruz, R.; Baptista, L. A.; Ntim, S.; Manidurai, P.; Espinoza, S.; Ramanan, C.; Cortes Huerto, R.; Sulpizi, M.: Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: a combined experimental and simulation study. Journal of Physics: Condensed Matter 33 (25), 254005 (2021)

Baptista, L. A.; Dutta, R. C.; Sevilla, M.; Heidari, M.; Potestio, R.; Kremer, K.; Cortes Huerto, R.: Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method. Journal of Physics: Condensed Matter 33 (18), 184003 (2021)