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• Undergraduate Academic and Research Excellence in Chemistry (COS) - University of Texas at El Paso (12/01/2019-12/31/2019)
• UTEP COS Best MS Thesis Award - UTEP College of Science (12/01/2018-12/31/2018)

• Ph D in Chemistry, University of Illinois (2012)

• Simulation methods for self-assembling nanoparticles Progress in Materials Science 142 (2024), Lela Vukovic.
• Fusion Position-Dependent Aromatic Transitions of Ligand Backbone Rings for Controlling the Redox Energetics of Photoredox Catalysts. Inorganic chemistry (2024), P Girnt, G Molina-Aguirre, D Gomez Bustos, C Sandoval Pauker, Lela Vukovic, Balazs Pinter.
• Directed Evolution of Near-Infrared Serotonin Nanosensors with Machine Learning-Based Screening Nanomaterials 14 3 (2024), Seonghyeon An, Yeongjoo Suh, Payam Kelich, Dakyeon Lee, Lela Vukovic, Sanghwa Jeong.
• Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis. Nature communications 14 1 (2023), Q Wang, N Liu, Y Deng, Y Guan, H Xiao, T A. Nitka, H Yang, A Yadav, Lela Vukovic, I I. Mathews, X Chen, Chu Young Kim.
• Genetically encoded discovery of perfluoroaryl macrocycles that bind to albumin and exhibit extended circulation in vivo. Nature communications 14 1 (2023), Wong JYK, A I. Ekanayake, S Kharchenko, S E. Kirberger, R Qiu, P Kelich, Sayan Sarkar, J Li , K X. Fernandez, E R. Alvizo-Paez, J Miao, S Kalhor-Monfared, J D. John, Hyeun Ah Kang, H Choi, J M. Nuss, J C. Vederas, Y S. Lin, M S. Macauley, Lela Vukovic, Pomerantz WCK, R Derda.
• BinderSpace: A package for sequence space analyses for datasets of affinity-selected oligonucleotides and peptide-based molecules. Journal of computational chemistry 44 22 (2023), P Kelich, H Zhao, J R. Orona, Lela Vukovic.
• Characterizing the Interactions of Cell-Membrane-Disrupting Peptides with Lipid-Functionalized Single-Walled Carbon Nanotubes. ACS applied materials & interfaces 15 20 (2023), A Yadav, P Kelich, N Kallmyer, N F. Reuel, Lela Vukovic.
• Base Stacking and Sugar Orientations Contribute to Chiral Recognition of Single-Walled Carbon Nanotubes by Short ssDNAs Journal of the Physical Chemistry C 127 (2023), Sayantani Chakraborty, Lela Vukovic, Enrique Ebarguen, Kevin Chacon, Milena Petkovic.
• Discovery of DNA-Carbon Nanotube Sensors for Serotonin with Machine Learning and Near-infrared Fluorescence Spectroscopy. ACS Nano 16 1 (2022), P Kelich, S Jeong, N Navarro, J Adams, X Sun, H Zhao, M P. Landry, Lela Vukovic.
• Mechanistic Understanding of DNA Denaturation in Nanoscale Thermal Gradients Created by Femtosecond Excitation of Gold Nanoparticles. ACS Applied Materials & Interfaces 14 2 (2022), D A. Hastman, P Chaturvedi, E Oh, J S. Melinger, I L. Medintz, Lela Vukovic, S A. Díaz.
• Computational modeling of virucidal inhibition mechanism for broad-spectrum antiviral nanoparticles and HPV16 capsid segments Journal of Physical Chemistry B 125 (2021), Parth Chaturvedi, Payam Kelich, Tara Nitka, Lela Vukovic.
• Liquid Pumping by Nanoscopic “Flexible Oars” Journal of Physical Chemistry C 125 (2021), Lela Vukovic, Petr Kral.
• Genetically Encoded Fragment-Based Discovery from Phage-Displayed Macrocyclic Libraries with Genetically Encoded Unnatural Pharmacophores Journal of the American Chemical Society 143 14 (2021), Arunika I. Ekanayake, Lena Sobze, Payam Kelich, Jihea Youk, Nicholas J. Bennett, Raja Mukherjee, Atul Bhardwaj, Frank Wuest, Lela Vukovic, Ratmir Derda.
• Photochemical control of bacterial gene expression based on trans encoded genetic switches Chem. Sci. 12 7 (2021), Avishek Paul, Jingyi Huang, Yanxiao Han, Xintong Yang, Lela Vuković, Petr Král, Lifei Zheng, Andreas Herrmann.
• Adaptive evolution of peptide inhibitors for mutating SARS-CoV-2, P. Chaturvedi (graduate student), Y. Han, P. Král*, L. Vuković* (Corresponding Author) Advanced Theory & Simulations 3 (2020), Parth Chaturvedi, Yanxiao Han, Petr Kral, Lela Vukovic.
• Binding affinity and conformational preferences influence kinetic stability of short oligonucleotides on carbon nanotubes, A. A. Alizadehmojarad (graduate student), X, Zhou, A. G. Beyene, K. E. Chacon (undergraduate student), Y. Sung, R. L. Pinals, M. P. Landry*, L. Vuković* (corresponding author) Advanced Materials Interfaces 7 (2020), A. A. Alizadehmojarad, B. Fazelabdolabadi, Lela Vukovic.
• Modified Cyclodextrins as Broad-spectrum Antivirals, S. T. Jones, V. Cagno, M. Janecek, D. Ortiz, N. Gasilova, J. Piret, M. Gasbarri, D. A. Constant, Y. Han, L. Vuković, P. Král, L. Kaiser, S. Huang, S. Constant, K. Kirkegaard, G. Boivin, F. Stellacci, C. Tapparel Science Advances, 6 (2020), S. T. Jones, V. Cagno, M. Janecek, D. Ortiz , etc. , Lela Vukovic, etc. .
• Surfactant-controlled mobility of oil droplets in mineral nanopores, A. A. Alizadehmojarad (graduate student), B. Fazelabdolabadi, L. Vuković* (corresponding author) Langmuir 36 (2020), Lela Vukovic.
• Catalytic transport of molecular cargo using diffusive binding along a polymer track NATURE CHEMISTRY 11 4 (2019), Lifei Zheng, Hui Zhao, Yanxiao Han, Haibin Qian, Lela Vukovic, Jasmin Mecinovic, Petr Kral, Huck, Wilhelm T. S..
• Computational screening of nanoparticles coupling to A beta 40 peptides and fibrils (L. Vukovic- CORRESPONDING AUTHOR) SCIENTIFIC REPORTS 9 (2019), Soumyo Sen, Lela Vukovic, Petr Kral.
• Configurations of Nanocubes Floating and Clustering on Liquid Surfaces (L. Vukovic- CORRESPONDING AUTHOR) JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10 13 (2019), Tara A. Nitka, Petr Kral, Lela Vukovic.
• Quantification of the Number of Adsorbed DNA Molecules on Single-Walled Carbon Nanotubes JOURNAL OF PHYSICAL CHEMISTRY C 123 8 (2019), Robert Nissler, Florian A. Mann, Parth Chaturvedi, Jan Horlebein, Daniel Meyer, Lela Vukovic, Sebastian Kruss.
• Structural Properties of Small Single-Stranded Circular Nucleic Acids (L. Vukovic- CORRESPONDING AUTHOR) JOURNAL OF PHYSICAL CHEMISTRY B 123 39 (2019), Parth Chaturvedi, Lela Vukovic.
• Transition of Metastable Cross-alpha Crystals into Cross-beta Fibrils by beta-Turn Flipping JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 1 (2019), Sudipta Mondal, Guy Jacoby, Michael R. Sawaya, Zohar A. Arnon, Lihi Adler-Abramovich, Pavel Rehak, Lela Vukovic, Shimon, Linda J. W., Petr Kral, Roy Beck, Ehud Gazit.

• Computational Modeling of Molecules and Nanomaterials for Biomedical Applications (2023), Volume Washington, Lela Vukovic.
• Machine Learning-Assisted Discovery for Biomedical and Biochemical Applications (2023), Volume Chicago, IL, Lela Vukovic.
• Computational modeling of oligonucleotide-carbon nanotube sensors of small molecule bioanalytes (2023), Volume Bochum, Germany, Lela Vukovic.
• Computational modeling of molecules and nanomaterials for biomedical applications (2023), Volume Rice University, Lela Vukovic.
• Computational modeling of molecules and nanomaterials for biomedical applications (2022), Volume University of Nebraska Medical Center, Lela Vukovic.
• Computational modeling of nanomaterials for biomedical applications (2022), Lela Vukovic.
• Computational modeling of nanomaterials for biomedical applications (2021), Lela Vukovic.
• Computation-Assisted Molecular Discovery for Biomedical Applications (2021), Volume Berkeley, CA, Lela Vukovic.
• Computational modeling of nanomaterials for biomedical applications (2021), Volume virtual, Lela Vukovic.
• Computational modeling of DNA-nanotube hybrid conjugates for biosensor applications (2021), Volume virtual, Lela Vukovic.
• Adaptive Evolution of Peptide Inhibitors for Mutating SARS-CoV-2, (2020), Lela Vukovic.
• Computational modeling of virucidal inhibition mechanisms of broad-spectrum non-toxic antiviral nanoparticles (2019), Volume El Paso, TX, Lela Vukovic.
• Multiscale modeling of oligonucleotide-carbon nanotube biosensor platforms (2019), Volume El Paso, TX, Lela Vukovic.
• Structural and dynamical properties of small single stranded circular nucleic acids (2019), Volume El Paso, TX, Parth Chaturvedi, Lela Vukovic.
• Modeling of Nanocube Immersion and Self-Assembly at Liquid-Air Interfaces (2019), Volume El Paso, TX, Tara Nitka, Lela Vukovic.
• Computational modeling of biomedical systems: oligonucleotide-carbon nanotube biosensor platforms and virucidal nanoparticles (2019), Volume University of Oklahoma, Norman, OK, Lela Vukovic.
• Structural and dynamical properties of small single stranded circular nucleic acids (2019), Volume Norman, OK, Parth Chaturvedi, Lela Vukovic.
• Self-assembly of functional materials: Exploration with computational experiments (2019), Volume Belgrade, Serbia , Lela Vukovic.
• From RNA biology to nucleic acid sensors: Exploration with computational experiments (2019), Volume Austin , Lela Vukovic.

• Hands-On Practical Modules for Artificial Intelligence Approaches in Chemistry for Improved Career Preparation of Undergraduates
• NIH BUILD Summer Sabbatical
• Computational modeling of broad-spectrum non-toxic antiviral nanoparticles with a virucidal inhibition mechanism