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Journal of Chemical Theory and Computation|November 8, 2023
Using Enhanced Sampling Simulations to Study the Conformational Space of Chiral Aromatic Peptoid MonomersRakshit Kumar Jain, Carol K Hall, Erik E SantisoPNAS Nexus|January 28, 2025
Integrating biophysical modeling, quantum computing, and AI to discover plastic-binding peptides that combat microplastic pollutionJeet Dhoriyani, Michael T Bergman, Carol K Hall, et al.Proteins|May 11, 2011
Computer simulation study of amyloid fibril formation by palindromic sequences in prion peptidesVictoria A Wagoner, Mookyung Cheon, Iksoo Chang, et al.Protein Science : a Publication of the Protein Society|September 30, 2016
Simulation study of the ability of a computationally-designed peptide to recognize target tRNALys3 and other decoy tRNAsXingqing Xiao, Binwu Zhao, Paul F Agris, et al.Proteins|January 23, 2014
Impact of sequence on the molecular assembly of short amyloid peptidesVictoria A Wagoner, Mookyung Cheon, Iksoo Chang, et al.Soft Matter|July 4, 2020
Correction: Dynamical self-assembly of dipolar active Brownian particles in two dimensionsGuo-Jun Liao, Carol K Hall, Sabine H L KlappJournal of Chemical Information and Modeling|August 6, 2025
De Novo Design of Multiple Microplastic-Binding Peptides with a Protein Language Model-Guided Generative Adversarial NetworkSiyuan Wang, Michael T Bergman, Carol K Hall, et al.Soft Matter|February 25, 2020
Dynamical self-assembly of dipolar active Brownian particles in two dimensionsGuo-Jun Liao, Carol K Hall, Sabine H L KlappChemical Science|October 3, 2025
AI-driven rational design of promiscuous and selective plastic-binding peptidesVinamr Jain, Michael T Bergman, Carol K Hall, et al.Journal of Molecular Biology|January 10, 2012
Fibrillization propensity for short designed hexapeptides predicted by computer simulationVictoria A Wagoner, Mookyung Cheon, Iksoo Chang, et al.Pageof 14