Publications by authors named "Jonathon B Ferrell"

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Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin.
Dillon R McCarthy, Jacob M Remington, Jonathon B Ferrell, Severin T Schneebeli, Jianing Li

J Chem Theory Comput· November 2023

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GPCRLigNet: rapid screening for GPCR active ligands using machine learning.
Jacob M Remington, Kyle T McKay, Noah B Beckage, Jonathon B Ferrell, Severin T Schneebeli

J Comput Aided Mol Des· March 2023

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Concerted Rolling and Penetration of Peptides during Membrane Binding.
Jacob M Remington, Jonathon B Ferrell, Severin T Schneebeli, Jianing Li

J Chem Theory Comput· June 2022

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Enhanced sampling protocol to elucidate fusion peptide opening of SARS-CoV-2 spike protein.
Jacob M Remington, Kyle T McKay, Jonathon B Ferrell, Severin T Schneebeli, Jianing Li

Biophys J· July 2021

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AMPGAN v2: Machine Learning-Guided Design of Antimicrobial Peptides.
Colin M Van Oort, Jonathon B Ferrell, Jacob M Remington, Safwan Wshah, Jianing Li

J Chem Inf Model· May 2021

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Aggregation State of Synergistic Antimicrobial Peptides.
Jacob M Remington, Chenyi Liao, Mona Sharafi, Emma J Ste Marie, Jonathon B Ferrell

J Phys Chem Lett· November 2020

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Selective Monofunctionalization Enabled by Reaction-History-Dependent Communication in Catalytic Rotaxanes.
Sinu C Rajappan, Dillon R McCarthy, Joseph P Campbell, Jonathon B Ferrell, Mona Sharafi

Angew Chem Int Ed Engl· September 2020

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Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Students.
Jacob M Remington, Jonathon B Ferrell, Marlo Zorman, Adam Petrucci, Severin T Schneebeli

Biophysicist (Rockv)· August 2020

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Top-down Multiscale Approach To Simulate Peptide Self-Assembly from Monomers.
Xiaochuan Zhao, Chenyi Liao, Yong-Tao Ma, Jonathon B Ferrell, Severin T Schneebeli

J Chem Theory Comput· March 2019

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