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.


August 21, 2020 - Welcome To Our New Postdoc Xiaorong Liu
Dr Liu joins us from Jianhan Chen's group at U Mass, Amherst. Big welcome to Xiaorong.
August 17, 2020 - Congratulations To TJ And Rachel On The Birth Of Lily
TJ and Rachel expanded their family by one last night. Daughter Lily and Rachel are doing well. Congratulations to you all!
August 10, 2020 - Au Revoir To Furyal From The Brooks Lab
We say (officially) goodbye to REU coworker Furyal Ahmed this week. Furyal gave an excellent presentation at today's group meeting. She has worked closely with our COVID-19 team and made excellent progress! Thanks Furyal.
June 9, 2020 - Congratulations To Efrosini Aka Dr Artikis
Efrosini gave a beautiful thesis presentation in the successful defense of her thesis. Congratulations! Efrosini is heading of to a postdoc with Byron Caughey's lab at the NIH in Montana.
December 10, 2019 - Congratulations To Former Lab Member Xinqiang Ding For Paper In Nature Communications
Machine learning and protein sequences! Deciphering protein evolution and fitness landscapes with latent space models (Link)
December 6, 2019 - Congratulations To Tricia - DEI Scientific Spotlight
Check out the great story about Tricia! (Link)
December 6, 2019 - Congratulations To Tricia - DEI Scientific Spotlight
Check out the great story about Tricia! (Link)
November 25, 2019 - Welcome Back Nick!
The Brooks Group welcomes back Nick following his leave, and the birth of his new son. Glad you're back Nick and congratulations.
November 22, 2019 - Fond Farewell To Marc
We are sad to see Marc finish his temporary assignment in the group, taking over for Nick during his leave. Thanks Marc!
November 22, 2019 - Big Congratulations To "candidate" Yujin
Yujin successfully passed his candidacy exam with flying colors. Great job!
Funding from the following agencies: