Welcome to the Brooks Group Website!

Research in the group of Charles L. Brooks III in the Department of Chemistry and Biophysics Program at the University of Michigan is focused on the application of statistical mechanics, quantum chemistry and computational methods to chemically and physically oriented problems in biology. Current research interests include:

  • multi-scale modeling applied to dynamics and assembly of complex biological assemblies, e.g., viruses, ribosome, myosin
  • development of constant pH molecular dynamics with applications to pH dependent conformational changes: folding, unfolding and aggregation of proteins and nucleic acids
  • RNA structure, function and folding processes using all atom and coarse-grained models
  • free energy based methods for inhibitor screening and optimization, including lambda-dynamics, ligand docking, protein stability and continuum based free energy approximations
  • coupling between protein motion and enzyme catalysis in DHFR, AdK, DNA polymerases, including QM/MM investigations of enzyme catalysis
  • coarse-grained modeling of molecular machines: ribosome, viruses, helicases
  • development of new polarizable force fields for proteins, lipids and small molecules
  • protein folding using all atom and simplified off lattice models, including unfolded states of proteins
  • protein structure prediction, ab initio folding, homology modeling

In addition, we are oversee the development and support of the CHARMM molecular mechanics and modeling software. Our efforts in software development focus on new methods for the problems noted above and high performance computing on large parallel and distributed supercomputers, including accelerated molecular dynamics using GPUs.


July 14, 2021 - Congratulations Yujin On Protein Society Poster Award At PS35
Yujin Wu received a Graduate Student Poster Award for his presentation entitled "Development of Flexible CDOCKER and its Application in Identifying Putative Inhibitors Against TMPRSS2, as a Potential Anti-CoV-2 Therapeutic. Congrats! Well done!
June 24, 2021 - Congratulations To Tricia (aka Dr Jones)
Tricia gave a great thesis defense seminar. Wonderful attendance and support from her friends and colleagues. Another Brooksian Ph.D. Asst Prof of Data Science at Carolina University
May 20, 2021 - Congratulations Dr Peiffer! Amanda Defended Her Thesis.
Amanda did an outstanding job and presenting and defending her thesis today. A new Brooksian takes her place in making science happen as a Ph.D.
May 20, 2021 - Xinqiang Ding Named ACS Division Of Physical Chemistry Young Investigator
Congratulations to former Brooks Group Member Xinqiang Ding in receiving ACS PHYS Young Investigator Awatd. Look for him at Fall ACS.
April 20, 2021 - Congratulations To Azam In Advancing To Candidacy
Azam passed his Candidacy exam - congratulations candidate Azam!
April 8, 2021 - Congratulations To Chad In Advancing To Candidacy
Huge congrats to Chad for an outstanding candidacy exam
April 5, 2021 - Congratulations To Tricia - Assistant Professor Of Chemistry, Carolina University
Great news, Tricia has accepted position as Assistant Professor at Carolina College. Congratulations Tricia!
November 20, 2020 - Welcome Azam To The Group From The Macro Program
Azam Hussain joins the group! Welcome Azam.
September 30, 2020 - Tricia Presents At ACS Panel Biochemistry And AI
We are all excited to hear Brooks group member Tricia participate in an ACS panel on Biochemistry and Artificial Intelligence.
September 25, 2020 - Congratulations To Assistant Research Scientist Ryan Hayes
We are excited to announce that Ryan has moved to an Assistant Research Scientist position within the Department of Chemistry. Congratulations Ryan.
Funding from the following agencies: