Free energy landscapes for RBD opening in SARS-CoV-2 spike glycoprotein simulations suggest key interactions and a potentially druggable allosteric pocket

Lucy Fallon

Yuzhang Wang

Lauren Raguette

Christopher Corbo

Darya Stepanenko

Abbigayle Cuomo

Jose Luis Guerra

Stephanie Budhan

Sarah Varghese

Robert C Rizzo

Carlos L Simmerling

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