The Good, the Bad, and the Ugly: “HiPen”, a New Dataset for Validating (S)QM/MM Free Energy Simulations by Fiona L. Kearns, Luke Warrensford, Stefan Boresch, H. Lee Woodcock

Get full text

GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses by Sang Hoon Kim, Fiona L. Kearns, Mia A. Rosenfeld, Lorenzo Casalino, Micah J. Papanikolas, Carlos Simmerling, Rommie E. Amaro, Ronit Freeman

Get full text

Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens by Xandra Nuqui, Lorenzo Casalino, Ling Zhou, Mohamed Shehata, Albert Wang, Alexandra L. Tse, Anupam A. Ojha, Fiona L. Kearns, Mia A. Rosenfeld, Emily Happy Miller, Cory M. Acreman, Surl-Hee Ahn, Kartik Chandran, Jason S. McLellan, Rommie E. Amaro

Get full text

Distinct pathways for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses. by Alexandra L Tse, Cory M Acreman, Inna Ricardo-Lax, Jacob Berrigan, Gorka Lasso, Toheeb Balogun, Fiona L Kearns, Lorenzo Casalino, Georgia L McClain, Amartya Mudry Chandran, Charlotte Lemeunier, Rommie E Amaro, Charles M Rice, Rohit K Jangra, Jason S McLellan, Kartik Chandran, Emily Happy Miller

Get full text

Glycoproteomic landscape and structural dynamics of TIM family immune checkpoints enabled by mucinase SmE by Joann Chongsaritsinsuk, Alexandra D. Steigmeyer, Keira E. Mahoney, Mia A. Rosenfeld, Taryn M. Lucas, Courtney M. Smith, Alice Li, Deniz Ince, Fiona L. Kearns, Alexandria S. Battison, Marie A. Hollenhorst, D. Judy Shon, Katherine H. Tiemeyer, Victor Attah, Catherine Kwon, Carolyn R. Bertozzi, Michael J. Ferracane, Mark A. Lemmon, Rommie E. Amaro, Stacy A. Malaker

Get full text