PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM

por Smith, Louis G., Novak, Borna, Osato, Meghan, Mobley, David L., Bowman, Gregory R.
Publicado 2023

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2020

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2021

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

por Meller, Artur, Lotthammer, Jeffrey M, Smith, Louis G, Novak, Borna, Lee, Lindsey A, Kuhn, Catherine C, Greenberg, Lina, Leinwand, Leslie A, Greenberg, Michael J, Bowman, Gregory R
Publicado 2023