Publications by authors named "Jeremy T First"

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A dual-cutoff machine-learned potential for condensed organic systems obtained uncertainty-guided active learning.
Leonid Kahle, Benoit Minisini, Tai Bui, Jeremy T First, Corneliu Buda

Phys Chem Chem Phys· August 2024

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Beyond p: Experiments and Simulations of Nitrile Vibrational Probes in Staphylococcal Nuclease Show the Importance of Local Interactions.
Jeremy T First, Elisa T Novelli, Lauren J Webb

J Phys Chem B· April 2020

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Quantifying the Extent of Hydration of a Surface-Bound Peptide Using Neutron Reflectometry.
Whitney A Fies, Jeremy T First, Jason W Dugger, Mathieu Doucet, James F Browning

Langmuir· January 2020

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Agreement between Experimental and Simulated Circular Dichroic Spectra of a Positively Charged Peptide in Aqueous Solution and on Self-Assembled Monolayers.
Jeremy T First, Lauren J Webb

J Phys Chem B· May 2019

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Quantitative Measurement of Intrinsic GTP Hydrolysis for Carcinogenic Glutamine 61 Mutants in H-Ras.
Elisa T Novelli, Jeremy T First, Lauren J Webb

Biochemistry· November 2018

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Quantifying the Effects of Hydrogen Bonding on Nitrile Frequencies in GFP: Beyond Solvent Exposure.
Jeremy T First, Joshua D Slocum, Lauren J Webb

J Phys Chem B· July 2018

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Orthogonal Electric Field Measurements near the Green Fluorescent Protein Fluorophore through Stark Effect Spectroscopy and pK Shifts Provide a Unique Benchmark for Electrostatics Models.
Joshua D Slocum, Jeremy T First, Lauren J Webb

J Phys Chem B· July 2017

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