Online ASAP:
Development of Imidazolium-Based Parameters for AMOEBA-IL
#compchem #ionicliquids #AMOEBAFF #polarizable #forcefield
The Journal of Physical Chemistry B
https://pubs.acs.org/doi/10.1021/acs.jpcb.3c00986

Online ASAP:
Development of Imidazolium-Based Parameters for AMOEBA-IL
#compchem #ionicliquids #AMOEBAFF #polarizable #forcefield
The Journal of Physical Chemistry B
https://pubs.acs.org/doi/10.1021/acs.jpcb.3c00986

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