Search

6 results in Authors: Madelyn Smith

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

211

Downloads

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

573

Downloads

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

349

Downloads

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

189

Downloads

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

719

Downloads

1

Citations

Biological and Medicinal Chemistry

Peptide Charge Modulates Ion Binding to EF-Hand Motifs: A Molecular Dynamics Study

Bailey Hanson, Diana Lambropoulos, Madelyn Smith, Jian Hu, Pengfei Li

Version 1 posted 02 June 2025

67

Downloads