Publications by authors named "Maxim Secor"

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Computational Design of a Bicyclic Peptide Inhibitor Targeting the ICOS/ICOS-L Protein-Protein Interaction.
Laura Calvo-Barreiro, Maxim Secor, Jovan Damjanovic, Somaya A Abdel-Rahman, Yu-Shan Lin

Chem Biol Drug Des· May 2025

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Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino Acids.
Tiffani Hui, Maxim Secor, Minh Ngoc Ho, Nomindari Bayaraa, Yu-Shan Lin

J Chem Inf Model· February 2025

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When a Twist Makes a Difference: Exploring PCET and ESIPT on a Nonplanar Hydrogen-Bonded Donor-Acceptor System.
Emmanuel Odella, Jonathan H Fetherolf, Maxim Secor, Lydia DiPaola, Rodrigo E Dominguez

J Phys Chem Lett· October 2024

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The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones.
Walter D Guerra, Emmanuel Odella, Kai Cui, Maxim Secor, Rodrigo E Dominguez

Chem Sci· September 2024

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Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to -Cyanobenzoate and Implications for the CN Response.
Ahmed Mohamed, Sean C Edington, Maxim Secor, James R Breton, Sharon Hammes-Schiffer

J Phys Chem A· February 2023

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Managing the Redox Potential of PCET in Grotthuss-Type Proton Wires.
Emmanuel Odella, Maxim Secor, Edgar A Reyes Cruz, Walter D Guerra, María N Urrutia

J Am Chem Soc· August 2022

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Artificial Neural Networks as Propagators in Quantum Dynamics.
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer

J Phys Chem Lett· November 2021

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Multi PCET in symmetrically substituted benzimidazoles.
Emmanuel Odella, Maxim Secor, Mackenna Elliott, Thomas L Groy, Thomas A Moore

Chem Sci· October 2021

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Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels.
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer

J Phys Chem Lett· March 2021

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Role of Intact Hydrogen-Bond Networks in Multiproton-Coupled Electron Transfer.
Walter D Guerra, Emmanuel Odella, Maxim Secor, Joshua J Goings, María N Urrutia

J Am Chem Soc· December 2020

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Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces.
Zachary K Goldsmith, Maxim Secor, Sharon Hammes-Schiffer

ACS Cent Sci· February 2020

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Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium.
Edyta Małolepsza, Maxim Secor, Tom Keyes

J Phys Chem B· October 2015

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