Publications by authors named "Carol Hall"

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AI-driven rational design of promiscuous and selective plastic-binding peptides.
Vinamr Jain, Michael T Bergman, Carol K Hall, Fengqi You

Chem Sci· November 2025

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Development of Peptide Glucosyltransferase Inhibitors With Comprehensive Coverage Across Clostridioides difficile Toxin B Sub-Types.
Carly M Catella, Sudeep Sarma, Caroline M Hinesley, Corey E Febo, Keith A Breau, Carol K Hall

Biotechnol Bioeng· November 2025

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De Novo Design of Multiple Microplastic-Binding Peptides with a Protein Language Model-Guided Generative Adversarial Network.
Siyuan Wang, Michael T Bergman, Carol K Hall, Fengqi You

J Chem Inf Model· August 2025

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Modulating peptide co-assembly macromolecular crowding: Recipes for co-assembled structures.
Xin Y Dong, Madisen Domayer, Gregory A Hudalla, Carol K Hall

Nanoscale· June 2025

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Chirality-Dependent Magnetization of Colloidal Squares with Offset Magnetic Dipoles.
Matthew A Dorsey, Orlin D Velev, Carol K Hall

J Chem Theory Comput· March 2025

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Biophysics-guided uncertainty-aware deep learning uncovers high-affinity plastic-binding peptides.
Abdulelah S Alshehri, Michael T Bergman, Fengqi You, Carol K Hall

Digit Discov· February 2025

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Directed Assembly of Magnetic Colloidal Rods in an External Field.
Matthew A Dorsey, Carol K Hall

Langmuir· February 2025

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Integrating biophysical modeling, quantum computing, and AI to discover plastic-binding peptides that combat microplastic pollution.
Jeet Dhoriyani, Michael T Bergman, Carol K Hall, Fengqi You

PNAS Nexus· January 2025

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Discontinuous molecular dynamics simulations in an external field: Application to two-dimensional ferrofluids.
Matthew A Dorsey, Carol K Hall

Phys Rev E· January 2025

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Designing microplastic-binding peptides with a variational quantum circuit-based hybrid quantum-classical approach.
Raul Conchello Vendrell, Akshay Ajagekar, Michael T Bergman, Carol K Hall, Fengqi You

Sci Adv· December 2024

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Structural Comparison of Aromatic and Aliphatic Chiral Peptoid Oligomers.
Rakshit Kumar Jain, Carol K Hall, Erik E Santiso

J Phys Chem B· November 2024

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Living the good life? A systematic review of behavioural signs of affective state in the domestic horse () and factors relating to quality of life. Part I: Fulfilment of species-specific needs.
Carol Hall, Rachel Kay

Anim Welf· October 2024

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Living the good life? A systematic review of behavioural signs of affective state in the domestic horse () and factors relating to quality of life. Part 2: Horse-human interactions.
Carol Hall, Rachel Kay

Anim Welf· October 2024

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Design of parallel 𝛽-sheet nanofibrils using Monte Carlo search, coarse-grained simulations, and experimental testing.
Sudeep Sarma, Tarunya Rao Sudarshan, Van Nguyen, Alicia S Robang, Xingqing Xiao, Carol K Hall

Protein Sci· August 2024

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Spatially Confined Assembly and Immobilization of Hierarchical Nanoparticle Architectures inside Microdroplets in Magnetic Fields.
Abhirup Basu, Matthew R Clary, Joseph B Tracy, Carol K Hall, Orlin D Velev

ACS Nano· July 2024

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Side-Chain Chemistry Governs Hierarchical Order of Charge-Complementary β-sheet Peptide Coassemblies.
Renjie Liu, Xin Dong, Dillon T Seroski, Bethsymarie Soto Morales, Kong M Wong, Carol K Hall

Angew Chem Int Ed Engl· December 2023

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Using Enhanced Sampling Simulations to Study the Conformational Space of Chiral Aromatic Peptoid Monomers.
Rakshit Kumar Jain, Carol K Hall, Erik E Santiso

J Chem Theory Comput· December 2023

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Programming co-assembled peptide nanofiber morphology via anionic amino acid type: Insights from molecular dynamics simulations.
Xin Y Dong, Renjie Liu, Dillon T Seroski, Gregory A Hudalla, Carol K Hall

PLoS Comput Biol· December 2023

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In Silico Design and Analysis of Plastic-Binding Peptides.
Michael T Bergman, Xingqing Xiao, Carol K Hall

J Phys Chem B· October 2023

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Design of 8-mer peptides that block Clostridioides difficile toxin A in intestinal cells.
Sudeep Sarma, Carly M Catella, Ellyce T San Pedro, Xingqing Xiao, Deniz Durmusoglu, Carol K Hall

Commun Biol· August 2023

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Computational investigation of the phase behavior of colloidal squares with offset magnetic dipoles.
Matthew A Dorsey, Orlin D Velev, Carol K Hall

Soft Matter· June 2023

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Design of 8-mer Peptides that Block Toxin A in Intestinal Cells.
Sudeep Sarma, Carly M Catella, Ellyce T San Pedro, Xingqing Xiao, Deniz Durmusoglu, Carol K Hall

bioRxiv· January 2023

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Sequence patterns and signatures: Computational and experimental discovery of amyloid-forming peptides.
Xingqing Xiao, Alicia S Robang, Sudeep Sarma, Justin V Le, Michael E Helmicki, Carol K Hall

PNAS Nexus· November 2022

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Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain Inhibitors.
Sudeep Sarma, Stephanie M Herrera, Xingqing Xiao, Gregory A Hudalla, Carol K Hall

J Phys Chem B· October 2022

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De novo discovery of peptide-based affinity ligands for the fab fragment of human immunoglobulin G.
Xingqing Xiao, Ryan Kilgore, Sudeep Sarma, Wenning Chu, Stefano Menegatti, Carol K Hall

J Chromatogr A· April 2022

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