Jennifer M. Bui

Thanks for visiting my webpage.

I was born in Saigon, Vietnam. I attended to Fresno High school, 1991 when my family immigrated to California.  I graduated from Del Mar High, the Campbell Unified District, San Jose, CA (my parents are still living there). Then, I attended University of California, Davis for B.S. in Chemistry. Enthralled by computational resources in scientific discoveries, I joined the McCammon Research Lab at the University of California, San Diego.  I got my Ph.D. in computational chemistry in 2005.  After awarded with the pretigious National Science Foundation Postdoctoral fellowship, I came to the Dobson Research Lab, at the University of Cambridge, Cambridge, England.  I was elected as a junior research fellow at Hughes Hall, the Royal charter of University of Cambridge.  I moved back to the US to join the Baker Research Lab, at the University of Washington, Seattleto conduct research in protein chemistry. 
I am currently a research scientist in computational biology and an adjunct professor in pharmaceutical sciences.
I have lived in Vancouver, Canada; Seattle, Washington; Cambridge, England; Buerchen, Switzerland; La Jolla, Davis, San Jose, and Fresno, California.

I have lived in Vancouver, Canada; Seattle, Washington; Cambridge, England; Buerchen, Switzerland; La Jolla, Davis, San Jose, and Fresno, California.

Whenever time is allowed, I enjoy hiking with my husband and daughter in Burchen, Switzerland, Cypress mountain, Vancouver, Canada, and Torrey Pine State Reverse Park,  La Jolla, California.  I also love cooking for my family and friends in the weekend.  I really like recipes from "the BBC website" and the two best British chefs-- Heston Blumenthal and Marco Pierre White.   I hope that my daughter would grow up quickly so we could go dancing ballet together.  She can do the split now! 
Burchen, Switzerland
Mt. Cypress, Vancouver, Canada

My Curriculum Vitae

If you're applying for fellowships/grants and need my CV, please change the following  NIH biographical sketch to fit your needs. Please also go to the pubmed for updated publications. 

NIH biographical sketch


Bui, Jennifer M.


Assistant Research Professor 

eRA COMMONS USER NAME (credential, e.g., agency login)


EDUCATION/TRAINING  (Begin with baccalaureate or other initial professional education, such as nursing, and include postdoctoral training.)



(if applicable)



University of Washington, Seattle

Cambridge University

University of California, San Diego

University of California, Davis









Protein Engineering

Chemical Information

Physical Chemistry

Theoretical Chemistry

Please refer to the application instructions in order to complete sections A, B, and C of the Biographical Sketch.

A.    Personal Statement:

      I have been conducting research that focuses on fundamental scientific understanding, method development and also, applications in medicine using protein structure, chemical information, and protein engineering with world-renown protein scientists at the best ranking institutions in the world. I have adept knowledge of chemistry and biology, outstanding computational skills, and well-developed mathematical abilities to carry out the proposed research from different angles.  These reflect on my publication record (below) with a gap period when I took one year of maternity and parenting leave (02/2010- 02/2011).

B.    Positions and Honors:


2012-            Assistant Research Scientist, University of California, San Diego.

2013-            Adjunct Assistant Professor in Faculty of Pharmaceutical Sciences, University of British 

                    Columbia, Vancouver.


2010             NIEHS K01 NIH career development grant.

2007-2009     Junior Research Fellow of Hughes Hall, a royal charter of University of Cambridge, UK.

2006-2009     National Institutes of Health Ruth L. Kirschstein/NRSA Postdoctoral Fellowship, University of  Cambridge, UK

2006-2009     National Science Foundation Postdoctoral Research Fellowship in Biological Informatics,  University  of Cambridge, UK.

2007              The ISN/ IBRO fellowship,  the IXth International Meeting on Cholinesterases.

2004              The Army Medical Defense Command travel award to participate in the VIIIth International Meeting on Cholinesterases.

2003-2006      Trainee, NSF Center for Theoretical Biological Physics,UC-San Diego

2001-2006    Affiliated Trainee, NIH Molecular Biophysics Training Grant, UC-San Diego

1998-1999     Affiliated Trainee, NSF Institute of Theoretical Dynamics Training Grant, UC-Davis

1997               University of California Regents: The Bradford Borge Graduate Fellowship, UC-Davis

1997               Departmental Citation for the most meritorious undergraduate achievement, UC-Davis

1996               Clorox Chemical Scholarship, UC-Davis

1996               The Dean's List of College of Letters and  Science, UC-Davis

Professional Services

·         Junior Fellow,  Hughes Hall, University of Cambridge (2007-2009)

·       Chairwoman, Biophysical Society Meeting Platform, Baltimore  (02/2004)

·       Referee for Proteins: Structure, Function and Bioinformatics , Biophysical,

·       Member of American Chemical Society (2004),  Biophysical Society (2002), of Protein Society (2002)

·       Elected Member, Phi Kappa Phi Honors Society (1996-present)

Invited Talks

February 14-18, 2004

“Conformational Variations of Fasciculin Associated with Protein-Protein Binding Interaction”, presented at the Biophysical Society 8thAnnual Meeting, Baltimore, Maryland.

March 25-April 1, 2004

“Conformational Variations of Fasciculin Associated with Protein-Protein Binding Interaction”, presented at the 228th  American Chemical Society National Meeting, Anaheim, California.

June 3-5, 2005


“Computational Modeling of Biomolecules: The Roles of Dynamics in Acetylcholinesterase Activity and Inhibition”, presented at the 6th VACETS Technical International Conference, Milpitas, California.

September 10-14, 2006

“Protein binding mechanism: Fast induced-fit conformational transitions of neurotoxin Fasciculin-2 in complex with acetylcholinesterase”, presented at 232nd American Chemical Society National Meeting, San Francisco, California.

August 19-23, 2007


February 1-6, 2008

“Caught in atomistic detailed action:  Modeling of protein-G monomers forming oligomers”, presented at 234nd American Chemical Society National Meeting, Boston, Massachusetts.

  “The Dynamics Energy Landscape Capturing Conformational Population Shift in Oligomerization, presented at the Biophysical Society 52nd Annual Meeting & the 16th International Biophysics Congress.

C.  Peer-Reviewed Publications

·       Jennifer M. Bui and David Baker. Computational Scheme Accounted for Receptor Flexibility in Rosetta-Ligand Docking, submitted, Journal of Computer-Aided Molecular Design, 2012

·       Jennifer M.  Bui and David Baker.  Screening for a New Class of Allosteric Inhibitors to Human Ubiquitin Conjugating Enzymes E2, submitted, Journal of Molecular Biology, 2012.

·       Lukman, S, Grant GH, Bui, Jennifer M. Unraveling evolutionary constraints: a heterogeneous conservation in dynamics of the titin Ig domains . FEBS Lett. 2010 Mar 19;584(6):1235-9.

·       Jennifer M. Bui,  Joerg A. Gsponer, Vendruscolo M., Christopher Dobson. “Analysis of sub-c and supra-c motions in protein Gβ1 using molecular dynamics simulations”, Biophys J. 1998 Aug;75(2):662-71

·       Jennifer M. Bui, Cavalli A, Gsponer, J., Identification of Aggregation-prone Elements using Interaction Energy Matrices, Angewandte Chemie Int., 2008;47(38):7267-9.

·       Gsponer J., Christodoulou J., Cavalli A., Richter B., Jennifer M. Bui, Dobson C. M  and  Vendruscolo M., “Correlated dynamics underlie the efficient ligand binding of calmodulin – a model for swift equilibrium shifts”,  Structure, (2008), 16(5):736-46.

·       J. Andrew McCammon and Jennifer M. Bui,  Intrinsic Conformational Flexibility of Acetylcholineterase, J. Chem-Biol. Interact., (2008).

·       Jennifer M. Bui and J. Andrew McCammon,  Protein Complex Formation Mechanism: Fast Conformational Transitions of Neurotoxin Fasciculin-2 in Complex with Acetylcholinesterase. Proc. Natl. Acad. Sci USA, 103 15451-16456, (2006).

·       Jennifer M. Bui , Zoran Radic,  Palmer Taylor, J.A. McCammon; Conformational Transitions in Protein-Protein Binding: The Neurotoxin Fasiculin-2 Binding to Acetylcholinesterase Biophysical Journal, 90, 3280-3287 (2006)

·       Sanjib Senapati, Jennifer M. Bui, and J.A. McCammon;  Induced Fit in Mouse Acetylcholinesterase upon Binding syn-TZ2PA6: A Molecular Dynamics Study.  J.  Med.  Chem. Soc., 48, 8155-8162 (2005).

·       David D.L. Minh, Jennifer M. Bui, Chia-en Chang, Tushar Jain, Jessica M.J. Swanson, and J. Andrew McCammon. Molecules Losing Space: An External Entropy Calculation of  Protein-Protein Association, Fas2 binding to AChE. Biophysical Journal, 89, L25-27 (2005).

·       Jennifer M. Bui and J.A. McCammon,Acetylcholinesterase: Pivotal Roles of its Long Omega Loop (CYS69-CYS96) in Regulating Substrate Binding. J. Chem-Biol. Interact., Vol:157, 357 (2005)

·       Jennifer M. Bui, Kaihsu Tai, J.A. McCammon,  Acetylcholinesterase: Enhanced Fluctuations and Alternative Routes to the Active Site in the Complex with Fasciculin-2. J. Amer. Chem. Soc., 126, 7198-7205 (2004).

·       Jennifer M. Bui, R.H. Henchman, J.A. McCammon, The Dynamics of the Ligand Barrier Crossing inside the Acetylcholinesterase Gorge, Biophysical Journal. 85, 2267-2272 (2003).

D.    Research Support

K01 ES018854 (Bui) 05/01/10-04/01/2013


I am currently implementing new Rosetta Enzyme Design (RED) Scheme that accounts for protein dynamics and apply it to engineering human paraoxonase as bioscavengers to sequester toxic organophosphate compounds.

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