Self-assembled Peptide-pi-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport and Management
Nature exquisitely controls the arrangement of key pigments during photosynthesis to harness solar energy. Exerting reliable control over engineered molecular materials in the crucial 10-100 nanometer regime, thousands of times smaller than a millimeter, remains a challenge. This project develops functional molecular superstructures via molecular synthesis, biologically inspired self-assembly, electronic measurements, molecular simulation, and data-driven molecular discovery and engineering. The PIs guide the next generation of materials and data scientists of diverse socio-economic background while promoting tight integration and mutually reinforcing feedback between computation and experiment towards the discovery and development of multi-molecule assemblies with tailored structure and function.
Publications
Evolution of π-Peptide Self-Assembly: From Understanding to Prediction and Control
A. L. Ferguson, and J. D. Tovar
12/7/2022
Computational discovery of high charge mobility self-assembling π-conjugated peptides
K. Shmilovich, Y. Yao, J. D. Tovar, H. E. Katz, A. Schleife, and A. L. Ferguson
1/1/2022
Hybrid computational–experimental data-driven design of self-assembling π-conjugated peptides
K. Shmilovich, S. S. Panda, A. Stouffer, J. D. Tovar, and A. L. Ferguson
1/1/2022
Computationally Guided Tuning of Peptide-Conjugated Perylene Diimide Self-Assembly
S. S. Panda, K. Shmilovich, N. S. M. Herringer, N. Marin, A. L. Ferguson, and J. D. Tovar
7/2/2021
Aqueous Self-Assembly of Peptide–Diketopyrrolopyrrole Conjugates with Variation of N-Alkyl Side Chain and π-Core Lengths
S. S. Panda, and J. D. Tovar
4/1/2021
A Tale of Three Hydrophobicities: Impact of Constitutional Isomerism on Nanostructure Evolution and Electronic Communication in π-Conjugated Peptides
J. P. Dibble, C. Troyano-Valls, and J. D. Tovar
8/18/2020
Carboxylic Acid‐Functionalized Conjugated Polymer Promoting Diminished Electronic Drift and Amplified Proton Sensitivity of Remote Gates Compared to Nonpolar Surfaces in Aqueous Media
H. Jang, J. Wagner, Y. Song, T. Lee, and H. E. Katz
6/11/2020
Computationally Guided Tuning of Amino Acid Configuration Influences the Chiroptical Properties of Supramolecular Peptide-π-Peptide Nanostructures
S. S. Panda, K. Shmilovich, A. L. Ferguson, and J. D. Tovar
6/3/2020
Effect of Core Oligomer Length on the Phase Behavior and Assembly of π-Conjugated Peptides
E. R. Jira, K. Shmilovich, T. S. Kale, A. Ferguson, J. D. Tovar, and C. M. Schroeder
4/14/2020
Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
K. Shmilovich, R. A. Mansbach, H. Sidky, O. E. Dunne, S. S. Panda, J. D. Tovar, and A. L. Ferguson
3/17/2020
Unusually Conductive Organic–Inorganic Hybrid Nanostructures Derived from Bio-Inspired Mineralization of Peptide/Pi-Electron Assemblies
T. Lee, S. S. Panda, J. D. Tovar, and H. E. Katz
1/30/2020
Controlling Supramolecular Chirality in Peptide−π-Peptide Networks by Variation of the Alkyl Spacer Length
S. S. Panda, K. Shmilovich, A. L. Ferguson, and J. D. Tovar
9/30/2019
Torsional Impacts on Quaterthiophene Segments Confined within Peptidic Nanostructures
T. S. Kale, H. A. M. Ardoña, A. Ertel, and J. D. Tovar
1/15/2019
Patchy Particle Model of the Hierarchical Self-Assembly of π-Conjugated Optoelectronic Peptides
R. A. Mansbach, and A. L. Ferguson
10/15/2018
Evidence for Prenucleated Fibrilogenesis of Acid-Mediated Self-Assembling Oligopeptides via Molecular Simulation and Fluorescence Correlation Spectroscopy
L. R. Valverde, B. A. Thurston, A. L. Ferguson, and W. L. Wilson
5/29/2018
Machine learning and molecular design of self-assembling -conjugated oligopeptides
B. A. Thurston, and A. L. Ferguson
5/9/2018
Solid-state electrical applications of protein and peptide based nanomaterials
S. S. Panda, H. E. Katz, and J. D. Tovar
1/1/2018
Photon management in supramolecular peptide nanomaterials
J. D. Tovar
12/22/2017
View All Publications
Research Highlights
Self-assembled Peptide-p-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport and Management
J. Tovar, H. Katz (Johns Hopkins U.) and A. Ferguson (U. Chicago)
2/8/2023
Controlling Supramolecular Chirality in Peptide-p-peptide Networks
J. Tovar (Johns Hopkins U.) A. Ferguson (U. Chicago)
2/8/2023
Self-assembled Peptide-p-electron Supramolular Polymers: Student Training and Dissemination
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
2/8/2023
Self-assembled Peptide-p-electron Supramolular Polymers:Workforce Training, Outreach, and Data Sharing
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
2/8/2023
Conductive Organic-inorganic Nanostructures
J. Tovar and H. Katz (Johns Hopkins U.)
2/8/2023
Self-assembled peptide-pi-electron supramolecular polymers for bioinspired energy harvesting, transport and management
Andrew Ferguson, University of Chicago
2/6/2023
Self-assembled Peptide-p-electron Supramolular Polymers:Code Sharing and Undergraduate Research
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
2/8/2023
Self-assembled Peptide-p-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport, and Management
J. Tovar (Johns Hopkins U.) and A. Ferguson (U. Chicago)
2/8/2023
Self-assembled Peptide-p-electron Supramolular Polymers: FAIR Data and Student Training
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
2/8/2023
Self-assembled Peptide-p-electron Supramolecular Polymers
A. Ferguson (U. Chicago)
2/8/2023
View All Highlights