Deadline extended to May 10th!
#Postdoc position - looking for experience with Biomolecular Simulation (molecular dynamics, ideally #QMMM) and #Python, and interest in #enzymes and #ML potentials

New link:
https://www.bristol.ac.uk/jobs/find/details/?jobId=312015&jobTitle=Research%20Associate%20in%20Computational%20Enzymology

#BlackInSTEMM particularly encouraged.

Please share!
(Email me with questions)

Just online twitter@J_A_C_S, excelent job by Madison Berger twitter@Lilberger14:
Mutations on the beta-clamp of DNA pol III core affect DNA structure within complex, resulting in changes in dynamics and electric fields at proofreader active site 50-70 Angstrom away!
#compchem #compbiophys #QMMM #MD
https://pubs.acs.org/doi/10.1021/jacs.2c11713

Just online twitter@J_A_C_S, excelent job by Madison Berger twitter@Lilberger14:
Mutations on the beta-clamp of DNA pol III core affect DNA structure within complex, resulting in changes in dynamics and electric fields at proofreader active site 50-70 Å away!
#compchem #compbiophys #QMMM #MD
https://pubs.acs.org/doi/10.1021/jacs.2c11713

Finally online
Yazdan twitter@YazdanMaghsoud, Erik twitter@ev_montelongo, Ally twitter@Ally_Kristina and Miguel twitter@miguelesp did a great job on this exciting collaboration with Pengyu Ren and Kevin N. Dalby

#compchem #compbiophys #biophysics #hpc #QMMM #polarizable

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01448

Our latest preprint is out; great collaboration with Kevin N Dalby and Pengyu Ren @ UT Austin on selective LH2 antagonists.
Nice job by Yazdan Maghsoud, Ally Smith and Erik Vázquez using #polarizable #QMMM to aid with ligand prediction
#compchem @chemistry
https://chemrxiv.org/engage/chemrxiv/article-details/6386ee9a1234cb1d69285c81

Our latest preprint is out; great collaboration with Kevin N Dalby and Pengyu Ren @ UT Austin on selective LH2 antagonists.
Nice job by Yazdan Maghsoud, Ally Smith and Erik Vázquez using #polarizable #QMMM to aid with ligand prediction
#compchem @chemistry
https://chemrxiv.org/engage/chemrxiv/article-details/6386ee9a1234cb1d69285c81

Just had the fantastic news that my @SWBio_DTP@twitter.com student @elisewhite99@twitter.com won a poster prize at #YMF2022 in Oxford! 🎉
#enzymes #QMMM @BristolBiochem@twitter.com

Latest preprint from our group: Great job by Yazdan Maghsoud to characterize the reaction mechanism of Topiroxostat inhibition of Xanthine Oxidase: #compchem #moleculardynamics #qmmm
https://chemrxiv.org/engage/chemrxiv/article-details/6379388f2079815aee2d6057

Latest preprint from our group: Great job by Yazdan Maghsoud to characterize the reaction mechanism of Topiroxostat inhibition of Xanthine Oxidase: #compchem #moleculardynamics #qmmm
https://chemrxiv.org/engage/chemrxiv/article-details/6379388f2079815aee2d6057