Jeffrey Comer (he/him)

I do molecular simulation and like running with my dog. Any opinions expressed here are my own.

[Jeffrey Comer (he/him) @JeffComerSim]

@agrossfield Sometimes such values can be usual for comparison between different ligands even if the absolute values are ludicrous. I’ve gotten values like –32 and –28, where rigorous calc gives –10 and –7 kcal/mol.

[RSC Medicinal Chemistry @rsc_medchem]

🔓Take a look at this #OpenAccess research from @JeffComerSim and colleagues, as featured on the inside front cover of our latest issue:

'Computational design of a cyclic peptide that inhibits the CTLA4 immune checkpoint'👀👀

https://t.co/UHJPwwUvE8

📍 @KSUDAP

[Jeffrey Comer (he/him) @JeffComerSim]

@andrewwhite01 We should probably be fighting for those to be more open too. I do FEP and docking solely with open source code (although the proprietary codes are probably more friendly for novices).

[Jeffrey Comer (he/him) @JeffComerSim]

@wpwalters I didn’t know such a thing could exist. Under what circumstances do you encounter them? Gas phase? In organic solvents?

[Jeffrey Comer (he/him) @JeffComerSim]

@fchollet People saying Python is inelegant have never written anything in C++. It’s on another level.

[Jeffrey Comer (he/him) @JeffComerSim]

My image of self-assembling peptides on graphene got selected as cover art for JCIM! https://t.co/LlDEySjUuV
@KSUDAP @ACS4Authors #MyACSCover

[Jeffrey Comer (he/him) @JeffComerSim]

@LindorffLarsen In the US, there is a much bigger jump between postdoc and Asst. Prof. My income tripled between my CNRS postdoc and my Asst. Prof. position at Kansas State. I don't think most US postdocs are getting what St. Jude quotes.

[Jeffrey Comer (he/him) @JeffComerSim]

Designed a cyclic peptide that folds and self-assembles at the graphite/graphene–water interface using molecular dynamics simulation and verified the formation of linear patterns experimentally. In my opinion, the coolest work I've ever done.
https://t.co/v1mZvFBeR6
@JCIM_JCTC

[Jeffrey Comer (he/him) @JeffComerSim]

That’s my collaborator!

[K-StateVetMed @KSUCVM]

Excited for these students to be receiving cancer research awards under the mentorship of the CVM's Dr. Masaaki Tamura: Grace Calo, third-year veterinary student (right), Justin Shum Award; and Morgan Phillips, undergraduate student, Joanne L. Reeves Award. @KSUDAP

[Department of Anatomy & Physiology @KSUDAP]

🎓#KState graduation is underway! 🎉🥳👏A big congrats to Dr. Thakkar and Dr. Comer! Dr. Thakkar is the first PhD to come out of the @JeffComerSim lab! Well done by all!
@KSUCVM @KSUGradSchool

[Jeffrey Comer (he/him) @JeffComerSim]

A little bit late, but congratulations to Ravi on being the first student to graduate from my lab!

[Department of Anatomy & Physiology @KSUDAP]

🎉🥳Congratulations to 🙌Dr. Ravi Thakkar!🙌 He successfully defended his PhD yesterday! Advisor: @JeffComerSim
@KSUCVM @KSUGradSchool
#phd #phdlife #phdjourney #phddone #ComputaionalDesign #MolecularSimulation #Peptides

[Jeffrey Comer (he/him) @JeffComerSim]

@andrewwhite01 @bradyajohnston Oooh, I want to try it!

[Jeffrey Comer (he/him) @JeffComerSim]

@yinglongmiao @lab_miao @KUMolBio @ChemKu @KUCollege @KUprovost @ResearchAtKU @UnivOfKansas Congratulations, Yinglong! You have worked hard and definitely deserve it!

[Jeffrey Comer (he/him) @JeffComerSim]

@davidlmobley It's a lot easier to write a proposal if you already know what most of the results are.

[Jeffrey Comer (he/him) @JeffComerSim]

Our article on hydrocarbon aggregation at the graphene–water interface in Nanoscale Advances has been highlighted as a Popular Advance! https://t.co/BEuQydARjQ @KSUDAP

[Jeffrey Comer (he/him) @JeffComerSim]

Graphene and graphite in water may be covered in airborne hydrocarbon contaminants under typical laboratory conditions. https://t.co/9VqxdIeoix @KSUDAP @nanoscale_rsc

[Jeffrey Comer (he/him) @JeffComerSim]

I’m excited for the new Dune movie because I think the world is ready for a teenage hero who spends most of the time hanging out with his mom.

[Jeffrey Comer (he/him) @JeffComerSim]

@davidlmobley Nice work! It seems like every group has a different protocol and few have a good justification for what they do, so this is helpful. The “simple scheme” used no restraints, while the “gentle scheme” had many stages. Do you think all stages are necessary or maybe good practice?

[Jeffrey Comer (he/him) @JeffComerSim]

@agrossfield @drugmonkeyblog I have some criticisms of it, but I’ve used it for all my figures for 10 years.

[Jeffrey Comer (he/him) @JeffComerSim]

@CiaranJHarman I have a few half written manuscripts that would be perfect for that journal.