Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism

por Durrant, Jacob D., Kochanek, Sarah E., Casalino, Lorenzo, Ieong, Pek U., Dommer, Abigail C., Amaro, Rommie E.
Publicado 2020

Insights into the behavior of nonanoic acid and its conjugate base at the air/water interface through a combined experimental and theoretical approach

por Luo, Man, Wauer, Nicholas A., Angle, Kyle J., Dommer, Abigail C., Song, Meishi, Nowak, Christopher M., Amaro, Rommie E., Grassian, Vicki H.
Publicado 2020

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

por Barros, Emilia P., Casalino, Lorenzo, Gaieb, Zied, Dommer, Abigail C., Wang, Yuzhang, Fallon, Lucy, Raguette, Lauren, Belfon, Kellon, Simmerling, Carlos, Amaro, Rommie E.
Publicado 2021

A multiscale coarse-grained model of the SARS-CoV-2 virion

por Yu, Alvin, Pak, Alexander J., He, Peng, Monje-Galvan, Viviana, Casalino, Lorenzo, Gaieb, Zied, Dommer, Abigail C., Amaro, Rommie E., Voth, Gregory A.
Publicado 2021

Revealing the Impacts of Chemical Complexity on Submicrometer Sea Spray Aerosol Morphology

por Dommer, Abigail C., Wauer, Nicholas A., Angle, Kyle J., Davasam, Aakash, Rubio, Patiemma, Luo, Man, Morris, Clare K., Prather, Kimberly A., Grassian, Vicki H., Amaro, Rommie E.
Publicado 2023

Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein

por Casalino, Lorenzo, Gaieb, Zied, Goldsmith, Jory A., Hjorth, Christy K., Dommer, Abigail C., Harbison, Aoife M., Fogarty, Carl A., Barros, Emilia P., Taylor, Bryn C., McLellan, Jason S., Fadda, Elisa, Amaro, Rommie E.
Publicado 2020

Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein

por Casalino, Lorenzo, Gaieb, Zied, Goldsmith, Jory A., Hjorth, Christy K., Dommer, Abigail C., Harbison, Aoife M., Fogarty, Carl A., Barros, Emilia P., Taylor, Bryn C., McLellan, Jason S., Fadda, Elisa, Amaro, Rommie E.
Publicado 2020

Sea Spray Aerosol Structure and Composition Using Cryogenic Transmission Electron Microscopy

por Patterson, Joseph P., Collins, Douglas B., Michaud, Jennifer M., Axson, Jessica L., Sultana, Camile M., Moser, Trevor, Dommer, Abigail C., Conner, Jack, Grassian, Vicki H., Stokes, M. Dale, Deane, Grant B., Evans, James E., Burkart, Michael D., Prather, Kimberly A., Gianneschi, Nathan C.
Publicado 2016

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

por Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E
Publicado 2021