Dr. Brent Krueger

Professor of Chemistry
Profile photo of Dr. Brent Krueger

Dr. Brent Krueger is a professor of chemistry and has been working at Hope since 2001.

During the duration of his career, Brent has been involved with various projects and organizations related to chemistry. From 2005 to 2007, he was the supervisor of the Computational Science and Modeling Laboratory at Hope College. He headed planning and development of the entire CSM program, which began in 2003. Brent also founded and organized the Midwest Undergraduate Computational Chemistry Consortium (MU3C) and related biannual conferences from 2003 to 2006.

See Dr. Krueger's current research 


  • Biophysical studies using laser spectroscopy and computational modeling
  • Predicting fluorescent probe motions using molecular dynamics calculations
  • The dynamics of structural change in phospholamban
  • Calculating the free energy of binding in phospholamban
  • Development of a mixed MD-QM method for comparing simulation with experiment


  • Molecular dynamics and pharmaceutical chemistry, University of California, 1999–2001
  • Ph.D., physical chemistry, University of Chicago, 1999
  • Ultrafast spectroscopy, Vrije Universiteit, Amsterdam, 1999
  • B.S., physics and chemistry, Truman State University, 1993

Selected GRANTS

  • National Science Foundation, “Acquisition of a Computer Cluster for Research, Research Training, and Teaching,” co-PI with William Polik (Hope), Daniela Kohen (Carleton), Keith Kuwata (Macalester), and Jonathan Smith (Gustavus-Adolphus), $379,609, 2005-2008
  • American Chemical Society Petroleum Research Fund, “Simulating Linear and Nonlinear Optical Spectra in Condensed Phase Systems with a Mixed Molecular Dynamics and Quantum Mechanical Method,” $35,000 (2005–2007)
  • TeraGrid, “Using replica exchange molecular dynamics to evaluate dynamic contributions to fluorescence-detected resonance energy transfer (FRET) experiments in hen egg-white lysozyme,” 30,000 hours (2005–2006)
  • National Center for Supercomputing Applications, “Evaluation of a mixed molecular dynamics and quantum mechanical method for simulating linear and nonlinear optical spectra in condensed phase systems,” 200,000 hours (2004–2006)
  • Hope College Towsley Research Scholar Award, “Understanding Disease and Treatment by Understanding Protein Function: Developing New Biophysical Tools in Structural Biology,” one semester sabbatical and $16,000 (2004–2007)
  • Research Corporation, “Protein-protein interactions studied through 1-d and 2-d fluorescence lifetime spectroscopy and molecular dynamics calculations,” $45,200 (2002–2004)

Selected Publications

  • “Fretting about FRET: Correlation between k and R,” Biophysical Journal, 92, 2007
  • “Hybrid Molecular Dynamics-Quantum Mechanics Simulations of Condensed Phase Spectral Properties: Evaluation of Simulation Parameters,” Journal of Computational Chemistry, 28, 2007
  • “Structural Fluctuations and Exciton Transfer Between Adenine and 2-Aminopurine in Single-Stranded DNA Trimers,” The Journal of Physical Chemistry B, 110, 2006
  • “Energy Transfer in the Nanostar: The Role of Coulombic Coupling and Dynamics,” The Journal of Physical Chemistry B, 109, 2005
  • “Molecular Dynamics Simulations of a Highly-Charged Peptide from an SH3 Domain: A Possible Sequence-Function Relationship,” Proteins, 45, 2001


  • “Computational Analysis of the Assumptions Underlying Use of FRET as a Spectroscopic Ruler,” Midwest Computational Structural Biology Workshop, April 30, 2005
  • “Hybrid molecular dynamics-quantum mechanics simulations of solvation dynamics,” American Chemical Society National Meeting, March 14, 2005
  • “Can physics and biology get along? Using computation and spectroscopy to develop new tools in structural biology,” Organic Chemistry Summer Seminar Series, Michigan State University, July, 21 2004
Profile photo of Dr. Brent Krueger
Dr. Brent Krueger

Phone Number616.395.7629

Schaap Science Center 2120A 35 East 12th Street Holland, MI 49423-3605
A map showing the location for Dr. Brent Krueger Schaap Science Center 2120A 35 East 12th Street Holland MI 49423-3605