Robust Identification of Binding Hot Spots Using Continuum Electrostatics: Application to Hen Egg-White Lysozyme

por Hall, David H., Grove, Laurie E., Yueh, Christine, Ngan, Chi Ho, Kozakov, Dima, Vajda, Sandor
Publicado 2011

Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble

por Landon, Melissa R, Amaro, Rommie E, Baron, Riccardo, Ngan, Chi Ho, Ozonoff, David, Andrew McCammon, J, Vajda, Sandor
Publicado 2008

FTMAP: extended protein mapping with user-selected probe molecules

por Ngan, Chi Ho, Bohnuud, Tanggis, Mottarella, Scott E., Beglov, Dmitri, Villar, Elizabeth A., Hall, David R., Kozakov, Dima, Vajda, Sandor
Publicado 2012

Computational mapping reveals dramatic effect of Hoogsteen breathing on duplex DNA reactivity with formaldehyde

por Bohnuud, Tanggis, Beglov, Dmitri, Ngan, Chi Ho, Zerbe, Brandon, Hall, David R., Brenke, Ryan, Vajda, Sandor, Frank-Kamenetskii, Maxim D., Kozakov, Dima
Publicado 2012