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.

News


January 17, 2016 - Congratulations to Shuai on further expanding the group, and his family!

Shuai and his wife gave birth to a baby girl last night. Congratulations on your family addition!
January 6, 2016 - Welcome Nicholas Foster, Rotation Student From Chemical Biology
Welcome Nicholas, winter rotation student in the chemical biology program.
December 21, 2015 - Dynamic duo defend dynamics

The dynamic duo, Super G-man and Boy-Arthur pose with "boss man" and his colleague Arnold the tin snowman after graduation yesterday. Good luck guys!
December 8, 2015 - Welcome to the Brooks Group Baby Florian

Congratulations to Josh and Jody on the birth of baby Florian, born 8 pm December 7th. Baby Florian is 7 lbs and mom and baby are doing well
November 5, 2015 - Congrats To Efrosini For Passing Her Candidacy Exam In Flying Colors!
A big hurrah to Efrosini for an excellent candidacy presentation and defense. Now the fun starts!
September 3, 2015 - Congratulations To Liz
Congrats to Liz in passing her candidacy exam today! One more hurdle down.
September 2, 2015 - Welcome Maral Budak Rotation Student In Biophysics
We all wish Maral a hearty welcome as she joins us for a rotation this semester. Maral is a PIBS Biophysics student.
September 2, 2015 - Refreshed Faces Return! Welcome Back Blair
Blair Whittington, now a sophomore, returns for the fall semester. Great to see her in group meeting - we need representation from Walled Lake :-)
September 2, 2015 - Welcome Yanming Wang Rotation Student In Chemistry
Welcome Yanming! He joins us for a rotation this semester. Yanming is a chemistry student.
September 1, 2015 - Welcome To New Postdoc Ryan Hayes
The Brooks Group welcomes Ryan Hayes to the group. Ryan recently finished his Ph.D. with Jose' Onuchic at Rice University.
Funding from the following agencies: