Active Site Loop Engineering Abolishes Water Capture in Hydroxylating Sesquiterpene Synthases

por Srivastava, Prabhakar L., Johns, Sam T., Walters, Rebecca, Miller, David J., Van der Kamp, Marc W., Allemann, Rudolf K.
Publicado 2023

Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking

por Deeks, Helen M., Walters, Rebecca K., Hare, Stephanie R., O’Connor, Michael B., Mulholland, Adrian J., Glowacki, David R.
Publicado 2020

Discovery of SARS-CoV-2 M(pro) peptide inhibitors from modelling substrate and ligand binding

por Chan, H. T. Henry, Moesser, Marc A., Walters, Rebecca K., Malla, Tika R., Twidale, Rebecca M., John, Tobias, Deeks, Helen M., Johnston-Wood, Tristan, Mikhailov, Victor, Sessions, Richard B., Dawson, William, Salah, Eidarus, Lukacik, Petra, Strain-Damerell, Claire, Owen, C. David, Nakajima, Takahito, Świderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R., Spencer, James, Walsh, Martin A., Schofield, Christopher J., Genovese, Luigi, Shoemark, Deborah K., Mulholland, Adrian J., Duarte, Fernanda, Morris, Garrett M.
Publicado 2021