Sergio Wong

Contact information

Lawrence Livermore National Laboratory
7000 East Avenue, L-372
Livermore, CA 94550
email: wong105@llnl.gov
phone: 925 424 2338
         
 

Education

B.S., Physics, Florida International University, 2001.

B.S., Chemistry, Florida International University, 2001.

Ph.D., Biophysics, University of California San Francisco, 2006.

Research interests

My research interests broadly include the development of computational methods for bio-molecular simulation, modeling of protein-ligand interactions, and discovery of small-molecule therapeutics.  I work with companies and universities in some of my projects.

Recent publications

  1. L. Koziol, C. A. Valdez, S. E. Baker, E. Y. Lau, W. C. Floyd III, S. E. Wong, J. H. Satcher Jr., F. C. Lightstone, R. D. Aines (2012) Towards a small molecule, biomimetic carbonic anhydrase model: theoretical and experimental investigations of a panel of Zinc(II) aza-macrocyclic catalysts, Inorganic Chemistry. 51, 6803-6812. DOI: 10.1021/ic300526b
  2. T. S. Carpenter, E. Y. Lau and F. C. Lightstone (2012) A Role for Loop-F in Modulating GABA Binding Affinity in the GABAA Receptor. J. Mol. Bio., 422, 310-323. DOI: 10.1016/j.jmb.2012.05.025
  3. L. W. Tari, M. Trzoss, D. C. Bensen, X. Li, Z. Chen, T. Lam, J. Zhang, C. J. Creighton, M. L. Cunningham, B. Kwan, M. Stidham, K. J. Shaw, F. C. Lightstone, S. E. Wong, T. B. Nguyen, J. Nix, J. Finn (2013) Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.  Bioorg. Med. Chem. Lett., 23, 1529-1536. DOI: 10.1016/j.bmcl.2012.11.032
  4. M. Trzoss, D. C. Bensen, X. Li, Z. Chen, T. Lam, J. Zhang, C. J. Creighton, M. L. Cunningham, B. Kwan, M. Stidham, K. Nelson, V. Brown-Driver, A. Castellano, K. J. Shaw, F. C. Lightstone, S. E. Wong, T. B. Nguyen, J. Finn, L. W. Tari (2013) Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE), Part II: Development of inhibitors with broad spectrum, Gram-negative antibacterial activity.  Bioorg. Med. Chem. Lett., 23, 1537-1543. DOI: 10.1016/j.bmcl.2012.11.073
  5. X. Zhang, S. E. Wong, F. C. Lightstone (2013) Message Passing Interface and Multithreading Hybrid for Parallel Molecular Docking of Large Databases on Petascale High Performance Computing Machines, J. Comput. Chem., In press. DOI: 10.1002/jcc.23214
  6. Y. Yang, F. C. Lightstone, S. E. Wong (2013) Solvents in Structure-Based in Drug Discovery. Expert Opinion On Drug Discovery, 8, 277-287. DOI: 10.1517/17460441.2013.749853
  7. L. Koziol, S. G. Essiz, S. E. Wong, E. Y. Lau, C. A. Valdez, J. H. Satcher, Jr., R. D. Aines, F. C. Lightstone (2013) Computational Analysis of a Zn-bound Tris(imidazolyl) Calix[6]arene Aqua Complex:  Toward Incorporating Second-coordination Sphere Effects into Carbonic Anhydrase Biomimetics. J. Chem. Theory. Comput., In press. DOI: 10.1021/ct3008793
  8. E. Y. Lau, S. E. Wong, S. E. Baker, J. P. Bearinger, L. Koziol, C. A. Valdez, J. H. Satcher Jr, R. D. Aines and F. C. Lightstone (2013) Comparison and Analysis of Zinc and Cobalt-based Systems as Catalytic Entities for the Hydration of Carbon Dioxide. PLoS ONE, accepted.
  9. J. P. Nilmeier, D. A. Kirshner, S. E. Wong, and F. C. Lightstone (2013) Rapid Catalytic Template Searching as an Enzyme Function Prediction Procedure.  PLoS ONE 8(5): e62535. doi:10.1371/journal.pone.0062535.