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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Kellon Belfon

2 results in Authors: Kellon Belfon

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

3,546

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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

1,264

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3

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