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 | 292 | 2012 |
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 | 174 | 2012 |
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 | 126 | 2008 |
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 | 123 | 2013 |
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 | 99 | 2009 |
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 | 72 | 2012 |
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 | 54 | 2012 |
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 | 35 | 2011 |
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 | 27 | 2010 |
Computational Protein–Protein Interactions J Janin R. Nussinov and G. Schreiber, 2009 | 3 | 2009 |
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 | 1 | 2011 |
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 | 1 | 2011 |
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 | 1 | 2009 |
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 |