Resultados da pesquisa por Autor

1

Hot spot analysis for driving the development of hits into leads in fragment based drug discovery

Hot spot analysis for driving the development of hits into leads in fragment based drug discovery

Por Hall, David R., Ngan, Chi Ho, Zerbe, Brandon S., Kozakov, Dima, Vajda, Sandor
Publicado em 2011

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2

The structural basis of pregnane X receptor binding promiscuity

The structural basis of pregnane X receptor binding promiscuity

Por Ngan, Chi-Ho, Beglov, Dmitri, Rudnitskaya, Aleksandra N., Kozakov, Dima, Waxman, David J., Vajda, Sandor
Publicado em 2009

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3

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

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 em 2011

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4

FTSite: high accuracy detection of ligand binding sites on unbound protein structures

FTSite: high accuracy detection of ligand binding sites on unbound protein structures

Por Ngan, Chi-Ho, Hall, David R., Zerbe, Brandon, Grove, Laurie E., Kozakov, Dima, Vajda, Sandor
Publicado em 2012

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5

Domain motion and interdomain hot spots in a multidomain enzyme

Domain motion and interdomain hot spots in a multidomain enzyme

Por Chuang, Gwo-Yu, Mehra-Chaudhary, Ritcha, Ngan, Chi-Ho, Zerbe, Brandon S, Kozakov, Dima, Vajda, Sandor, Beamer, Lesa J
Publicado em 2010

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6

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

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 em 2008

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7

Detection of peptide-binding sites on protein surfaces: The first step towards the modeling and targeting of peptide-mediated interactions

Detection of peptide-binding sites on protein surfaces: The first step towards the modeling and targeting of peptide-mediated interactions

Por Lavi, Assaf, Ngan, Chi Ho, Movshovitz-Attias, Dana, Bohnuud, Tanggis, Yueh, Christine, Beglov, Dmitri, Schueler-Furman, Ora, Kozakov, Dima
Publicado em 2013

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8

FTMAP: extended protein mapping with user-selected probe molecules

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 em 2012

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9

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

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 em 2012

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