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Chi Ho Ngan
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FTSite: high accuracy detection of ligand binding sites on unbound protein structures
CH Ngan, DR Hall, B Zerbe, LE Grove, D Kozakov, S Vajda
Bioinformatics 28 (2), 286-287, 2012
1832012
FTMAP: extended protein mapping with user-selected probe molecules
CH Ngan, T Bohnuud, SE Mottarella, D Beglov, EA Villar, DR Hall, ...
Nucleic acids research 40 (W1), W271-W275, 2012
1352012
Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble
MR Landon, RE Amaro, R Baron, CH Ngan, D Ozonoff, ...
Chemical biology & drug design 71 (2), 106-116, 2008
1182008
Detection of peptide‐binding sites on protein surfaces: The first step toward the modeling and targeting of peptide‐mediated interactions
A Lavi, CH Ngan, D Movshovitz‐Attias, T Bohnuud, C Yueh, D Beglov, ...
Proteins: Structure, Function, and Bioinformatics 81 (12), 2096-2105, 2013
902013
The structural basis of pregnane X receptor binding promiscuity
CH Ngan, D Beglov, AN Rudnitskaya, D Kozakov, DJ Waxman, S Vajda
Biochemistry 48 (48), 11572-11581, 2009
852009
Hot spot analysis for driving the development of hits into leads in fragment-based drug discovery
DR Hall, CH Ngan, BS Zerbe, D Kozakov, S Vajda
Journal of chemical information and modeling 52 (1), 199-209, 2012
582012
Computational mapping reveals dramatic effect of Hoogsteen breathing on duplex DNA reactivity with formaldehyde
T Bohnuud, D Beglov, CH Ngan, B Zerbe, DR Hall, R Brenke, S Vajda, ...
Nucleic acids research 40 (16), 7644-7652, 2012
392012
Robust identification of binding hot spots using continuum electrostatics: application to hen egg-white lysozyme
DH Hall, LE Grove, C Yueh, CH Ngan, D Kozakov, S Vajda
Journal of the American Chemical Society 133 (51), 20668-20671, 2011
312011
Domain motion and interdomain hot spots in a multidomain enzyme
GY Chuang, R Mehra‐Chaudhary, CH Ngan, BS Zerbe, D Kozakov, ...
Protein Science 19 (9), 1662-1672, 2010
242010
Computational Protein–Protein Interactions
J Janin, IA Vakser, G Schreiber, GV Pachov, RR Gabdoulline, RC Wade, ...
R. Nussinov and G. Schreiber, 2009
22009
Increasing the accuracy of protein binding site prediction
CH Ngan, D Hall, B Zerbe, D Kozakov, S Vajda
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
12011
Fragment-based druggability measures in drug targets
DR Hall, CH Ngan, B Zerbe, D Kozakov, S Vajda
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
12011
13 Identification of Druggable Hot Spots on Proteins and in Protein–Protein Interfaces
D Beglov, R Brenke, GY Chuang, D Hall, M Landon, CH Ngan, Y Shen, ...
Computational Protein-Protein Interactions, 253, 2009
12009
Detection of peptide-binding sites on protein surfaces: The first step toward the modeling and targeting of peptide-mediated interactions (vol 81, pg 2096, 2013)
A Lavi, CH Ngan, D Movshovitz-Attias, T Bohnuud, C Yueh, D Beglov, ...
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 82 (7), 1550-1550, 2014
2014
89 Computational mapping reveals effect of Hoogsteen breathing on duplex DNA reactivity with formaldehyde
T Bohnuud, D Beglov, CH Ngan, B Zerbe, DR Hall, R Brenke, S Vajda, ...
Journal of Biomolecular Structure and Dynamics 31 (sup1), 57-57, 2013
2013
Developing peptide-based multivalent antagonists of human proliferating cell nuclear antigen
WP Bozza, K Yang, J Wang, TS Dexheimer, CH Ngan, S Vajda, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Identification and analysis of ligand binding sites by computational mapping
CH Ngan
Boston University, 2012
2012
In silico modeling of the cap-binding protein eIF4E: From binding site identification to ligand selection
D Beglov, D Hall, CH Ngan, D Kozakov, S Vajda
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
Structural promiscuity of human cytochromes P450: Understanding drug-drug interactions and metabolism via in silico fragment mapping
CH Ngan, RL Napoleon, D Kozakov, S Vajda
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010
2010
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Articles 1–19