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Lauren Raguette

3 results in Authors: Lauren Raguette

Theoretical and Computational Chemistry

Adjusting the energy profile for CH–O interactions leads to improved stability of RNA stem-loop structures in MD simulations

Lauren Raguette, Sarah Gunasekera, Rebeca Ventura Diaz, Ethan Aminov, Jason Linzer, Diksha Parwana, Qin Wu, Carlos Simmerling, Maria Nagan

Version 1 posted 25 April 2024

186

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Biological and Medicinal Chemistry

Free Energy Landscapes for RBD Opening in SARS-CoV-2 Spike Glycoprotein Simulations Suggest Key Interactions and a Potentially Druggable Allosteric Pocket

Lucy Fallon, Kellon Belfon, Lauren Raguette, Yuzhang Wang, Christopher Corbo, Darya Stepanenko, Abbigayle Cuomo, Jose Guerra, Stephanie Budhan, Sarah Varghese, Robert Rizzo, Carlos Simmerling

Version 1 posted 31 December 2020

1,186

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3

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Theoretical and Computational Chemistry

ff19SB: Amino-Acid Specific Protein Backbone Parameters Trained Against Quantum Mechanics Energy Surfaces in Solution

Chuan Tian, Koushik Kasavajhala, Kellon Belfon, Lauren Raguette, He Huang, Angela Migues, John Bickel, Yuzhang Wang, Jorge Pincay, Qin Wu, Carlos Simmerling

Version 1 posted 17 June 2019

2,725

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1

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