Publications by authors named "Maria S Kelly"

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Role of Residues Undergoing Hereditary Spastic Paraplegias Mutations: Insights from Simulating the Spiral to Ring Transition in Katanin.
Maria S Kelly, Riccardo Capelli, Ruxandra I Dima, Paolo Carloni

J Chem Inf Model· May 2025

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Erratum: "The quaternary question: Determining allostery in spastin through dynamics classification learning and bioinformatics" [J. Chem. Phys. 158, 125102 (2023)].
Maria S Kelly, Amanda C Macke, Shehani Kahawatte, Jacob E Stump, Abigail R Miller

J Chem Phys· April 2024

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Correction to "Microtubule Severing Enzymes Oligomerization and Allostery: A Tale of Two Domains".
Amanda C Macke, Maria S Kelly, Rohith Anand Varikoti, Sarah Mullen, Daniel Groves

J Phys Chem B· February 2024

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Searching for Structure: Characterizing the Protein Conformational Landscape with Clustering-Based Algorithms.
Amanda C Macke, Jacob E Stump, Maria S Kelly, Jamie Rowley, Vageesha Herath

J Chem Inf Model· January 2024

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Design, Rationalization, and Automation of a Catalytic Sensing Mechanism for Homogeneous SERS Biosensors.
Steven M Quarin, Amanda C Macke, Lyndsay N Kissell, Maria S Kelly, Ashan Dayananda

ACS Sens· May 2023

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The quaternary question: Determining allostery in spastin through dynamics classification learning and bioinformatics.
Maria S Kelly, Amanda C Macke, Shehani Kahawatte, Jacob E Stump, Abigail R Miller

J Chem Phys· March 2023

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Microtubule Severing Enzymes Oligomerization and Allostery: A Tale of Two Domains.
Amanda C Macke, Maria S Kelly, Rohith Anand Varikoti, Sarah Mullen, Daniel Groves

J Phys Chem B· December 2022

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Exploring the Effect of Mechanical Anisotropy of Protein Structures in the Unfoldase Mechanism of AAA+ Molecular Machines.
Rohith Anand Varikoti, Hewafonsekage Yasan Y Fonseka, Maria S Kelly, Alex Javidi, Mangesh Damre

Nanomaterials (Basel)· May 2022

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Microtubule assembly and disassembly dynamics model: Exploring dynamic instability and identifying features of Microtubules' Growth, Catastrophe, Shortening, and Rescue.
Evgenii Kliuchnikov, Eugene Klyshko, Maria S Kelly, Artem Zhmurov, Ruxandra I Dima

Comput Struct Biotechnol J· January 2022

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