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5 results in Keywords: Protein Structure

Theoretical and Computational Chemistry

Implementation of telescoping boxes in adaptive steered molecular dynamics (ASMD)

Yi Zhuang, Nikhil Thota, Stephen Quirk, Rigoberto Hernandez

Version 1 posted 12 May 2022

472

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1

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Analytical Chemistry

EC-QCL IR spectroscopy for the analysis of protein unfolding served with a topping of MCR-ALS or MCR-ALS-PLSR for the baseline-intolerant

Shilpa Vijayakumar, Andreas Schwaighofer, Georg Ramer, Bernhard Lendl

Version 1 posted 06 December 2023

105

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Biological and Medicinal Chemistry

Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation

Gemma Fisher, Marina Corbella, Magnus S. Alphey, John Nicholson, Benjamin J. Read, Shina C. L. Kamerlin, Rafael G. da Silva

Version 2 posted 11 October 2022

320

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Using BpyAla to generate Copper Artificial Metalloenzymes: a catalytic and structural study

Eva Klemencic, Richard Brewster, Hafiz Ali, Julia Richardson, Amanda Jarvis

Version 2 posted 30 October 2023

531

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Theoretical and Computational Chemistry

A Self Consistent Approach to Rotamer and Protonation State Assignments (RAPA): Moving Beyond Single Protein Configurations

Mossa Ghattas, Prerna Gera, Steven Ramsey, Anthony Cruz Balberdy, Nathaniel Abraham, Daniel McKay, Tom Kurtzman

Version 1 posted 17 December 2024

51

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