Lauren Raguette

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

Chuan Tian, Koushik Kasavajhala, Kellon Belfon et al. · Journal of Chemical Theory and Computation · 2019 · 2.1K citations · Full text

Engineering, Protein Assembly, Biomolecular Structure Prediction +20

The flexibility of ACE2 in the context of SARS-CoV-2 infection

Emília P. Barros, Lorenzo Casalino, Zied Gaieb et al. · Biophysical Journal · 2020 · 133 citations · Full text

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

Chuan Tian, Koushik Kasavajhala, Kellon Belfon et al. · 2019 · 81 citations · Full text

Engineering, Biomolecular Structure Prediction, Molecular Biology +21

Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric Pocket

Lucy Fallon, Kellon Belfon, Lauren Raguette et al. · Journal of the American Chemical Society · 2021 · 73 citations · Full text

Biophysical Modeling, Rbd Opening, Molecular Biology +16

Investigating the Mechanism of Lithium Transport at Solid Electrolyte Interphases

Ryan Jorn, Lauren Raguette, Shaniya Peart · The Journal of Physical Chemistry C · 2020 · 34 citations