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Biological and Medicinal Chemistry

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Inorganic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Madelyn Smith

5 results in Authors: Madelyn Smith

Theoretical and Computational Chemistry

Exploring Ion Polarizabilities and Their Correlation with Van der Waals Radii: A Theoretical Investigation

Madelyn Smith, Richa Khatiwada, Pengfei Li

Version 3 posted 13 August 2024

430

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Physical Chemistry

Simulating Metal-Imidazole Complexes

Zhen Li, Subhamoy Bhowmik, Luca Sagresti, Guiseppe Brancato, Madelyn Smith, David Benson, Pengfei Li, Kenneth Merz

Version 1 posted 06 May 2024

135

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Physical Chemistry

Molecular Insights into the Calcium Binding in Troponin C Through a Molecular Dynamics Study

Madelyn Smith, Pengfei Li

Version 1 posted 13 July 2022

275

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Theoretical and Computational Chemistry

Consequences of Overfitting the van der Waals Radii of Ions

Madelyn Smith, Zhen Li, Luke Landry, Kenneth Merz, Pengfei Li

Version 2 posted 27 February 2023

598

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1

Citations

Physical Chemistry

Accuracy of Discrete-Continuum Solvation Model for Cations: A Benchmark Study

Bailey Hanson, Madelyn Smith, Pengfei Li

Version 1 posted 18 June 2024

151

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