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研究领域

The research interests in our laboratory have been focused on the structures and structural gymnastics of nucleic acids and their function, and, more recently, on biomolecular halogen bonds to control molecular structure for bioengineering and ligand binding towards rational drug design. To attack these problems, we apply X-ray crystallography, computational biology, biochemistry, and bioinformatics approaches.

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Matthew R. Scholfield, Melissa C. Ford, Anna-Carin C. Carlsson, Hawera Butta, Ryan A. Mehl, and P. Shing Ho (2017) Structure-energy relationships of halogen bonds in proteins, Biochemistry, in press. ACS Editor's Choice selection (open access). Rhianon Kay Rowe, and P. Shing Ho (2017) Relationships between halogen and hydrogen bonds in biology, Acta Cryst, B, 73(2): 255-264. Ford, M. C., and Ho, P.S. (2016) Computational tools to model halogen bonds in medicinal chemistry, Journal of Medicinal Chemistry, 59(5): 1655-1670 (DOI: 10.1021/acs.jmedchem.5b00997). Recognized as "Highly cited" (top 1% cited papers from 2016) by Web of Science. Scholfield, M. R., Ford, M. C., Vander Zanden, C.M., Billman, M.M., Ho, P. S, and Rappé, A. K., (2015) Force field model of periodic trends in biomolecular halogen bonds, J. Phys Chem, B, 119(29): 9140-9149 (doi: 10.1021/jp509003r) P. Shing Ho (2014) From Holliday junctions to halogen bonds: How biology informs us about complex chemistry, F&M Scientist, 2: 28 - 54 Auffinger, P., Hays, F. A., Westhof, E., and Ho, P.S. (2004) Halogen bonds in biological molecules, Proc. Natl. Acad. Sci., USA. 101, 16789-16794. Vander Zanden, C.M., Carter, M., and Ho, P.S., Direct measurement of thermodynamic parameters from single crystal studies, (2013) Methods, 64: 12 - 18. Carter, M., Voth, A. R., Scholfield, M., Rummel, B., Sowers, L. C., and Ho, P.S. (2013) Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions, Biochemistry, 52: 4891-4903. Desiraju, G.R., Ho, P.S., Kloo, L., Legon, A.C., Marquardt, R., Metrangolo, P., Poloitzer, P.A., Resnati, G., and Rissanen, K. (2013) Definition of the halogen bond, Pure and Applied Chemistry,85(8): 1711-1713. Recognized as "Highly cited" (top 1% cited papers from 2013) by Web of Science. Scholfield, M.R., Vander Zanden, C.M., Carter, M., and Ho, P.S. (2013) Halogen bonding (X-bonding): A biological perspective, Protein Science, 22: 139-152 (In this issue feature, cover article, PMID: 23225628). Recognized as "Highly cited" (top 1% cited papers from 2013) by Web of Science. Carter, M., Rappé, A. K., and Ho, P.S. (2012) Scalable anisotropic shape and electrostatic models for biological bromine halogen bonds, J. Chem. Theory Comput, 8: 2461-2473 (cover article). Maximilliano Vallejos, Pascal Auffinger, & P. Shing Ho, P. S. (2012) “Molecular halogen interactions in biomolecular crystal structures”, Int. Tables Cryst. F., Ch. 23.6. Megan Carter & P. Shing Ho (2011) Assaying the energies of biological halogen bonds, Crystal Growth & Design, 11: 5087-5095 (cover article). P. Shing Ho & Megan Carter, 2011, DNA Structure: Alphabet Soup for the Cellular Soul, in DNA Replication (H. Seligmann, ed.), InTech (Open access). Khuu, P.A., and Ho, P.S., A rare nucleotide base tautomer in the structure of an asymmetric DNA junction, Biochemistry, 2009, 48: 7824-7832, cover article. Voth, A.R., Khuu, P., Oishi, K., Ho, P. S., (2009) "Halogen bonds as orthogonal molecular interactions to hydrogen bonds", Nature Chemistry, 2009, 1: 74-79. Recognized as "Highly cited" (top 1% cited papers from 2009) by Web of Science. P. Shing Ho, "Thermogenomics: Thermodynamic-Based Approaches to Genomic Analyses of DNA Structure", Methods, 2008, 47(3): 159-167. Full, S. J., Deinzer, M. L., Ho, P. S. and Greenwood, J., 2007, Phosphoinositide binding regulates a-actinin CH2 domain structure: Analysis by hydrogen/deuterium exchange mass spectrometry , Protein Sci., v. 16: 2597-2604. Daniels, M., Hart, L.P., Ho, P.S., Ballini, J.P., Vigny, P., Brochon, J.C.. Intrinsic fluorescence of B and Z forms of poly d(G-m(5)C).poly d(G-m(5)C), a synthetic double-stranded DNA: spectra and lifetimes by the maximum entropy method , Photochem Photobiol Sci. 2007 6: 883-893. Khuu, P., Sandor, M., DeYoung, J., and Ho, P. S. (2007) "Phylogenomic analysis of the emergence of GC-rich elements", Proc. Natl. Acad. Sci., USA, v. 104, 16528-16533. Voth, A. R. and Ho, P. S. (2007) "The role of halogen bonding in inhibitor recognition and binding by protein kinases", Curr. Topics Med. Chem., 7: 1336-1348. Voth, A. R., Franklin A. Hays, F. A. and Ho, P. S. (2007) "Directing macromolecular Conformation through Halogen Bonds", Proc. Natl. Acad. Sci., USA, 104: 6188-6193 (From the cover & In this Issue feature). Khuu, P., Voth, A. R., Hays, F. A., and Ho, P. S. (2006) "The stacked-X DNA Holliday junction and protein recognition", J. Mol. Recog. 19: 234-242. Hays, F. A., Schirf, V., Ho, P.S., and Demeler, B. (2006) "Solution formation of Holliday junctions in inverted-repeat sequences", Biochemistry, 45: 2467-2471 (Accelerated Communication, "Hot Article" designation, "Top 20 most accessed papers, 2006"). Hays, F. A., Teegarden, A., Jones, Z. J. R., Harms, M., Raup, D., Watson, J., Cavaliere, E., and Ho, P. S. (2005) "How sequence defines structure: A crystallographic map of DNA structure and conformation", Proc. Natl. Acad. Sci., USA, 102: 7157-7162. K. E. van Holde, W. C. Johnson, and P. S. Ho (2005) Principles of Physical Biochemistry, 2nd Ed. (Prentice Hall, Upper Saddle River, NJ).

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