Mehtap Işık Bennett

Scientist at Moderna | computational chemistry and cheminformatics | former member of @choderalab

[Mehtap Işık Bennett @_Mehtap_Isik_]

Are you curious about how to apply free energy calculations to RNA targets? Our recent paper, "Essential Considerations for Free Energy Calculations of RNA-Small Molecule Complexes", can answer some of your questions!
https://t.co/gRwsZFNBQ0
#compchem #cadd #rna

[Harold Grosjean @GrosjeanHarold]

Happy to share my first publication! Thanks to all that participated in this tough challenge! Special thanks to my supervisors @philbiggin and @FrankvonDelft! Also thank you @DiamondLightSou, @davidlmobley, @jchodera and @_Mehtap_Isik_!
https://t.co/K5Wq3Yr4tM

[Mehtap Işık Bennett @_Mehtap_Isik_]

Please reach out via DM if you have any questions.

[Mehtap Işık Bennett @_Mehtap_Isik_]

Moderna is searching for a #compchem leader. If you are eager to apply CADD expertise to the new challenges of mRNA therapeutics, consider joining our team which focuses on designing & optimizing components of lipid nanoparticle formulations. #CompChemJobs https://t.co/CSol1MReOd

[Mehtap Işık Bennett @_Mehtap_Isik_]

@nasedani Please send me a direct message. I have just activated it.

[Mehtap Işık Bennett @_Mehtap_Isik_]

There is a new computational chemistry internship opportunity at Moderna! We are looking for a graduate student who will explore free energy methods to predict RNA-ligand binding with us. Please contact me if are interested.
https://t.co/pXzeEimmDn

[Mehtap Işık Bennett @_Mehtap_Isik_]

@HiraKarimNiazi Please send me a direct message. I have just activated it.

[Mehtap Işık Bennett @_Mehtap_Isik_]

Our new paper reports the high-throughput methods used for measuring aqueous macroscopic pKa and logD of small molecules with 7 organic solvents for #SAMPL8. This dataset can continue to serve as a benchmark for solvation models. https://t.co/TeeP10kpCu @samplchallenges

[Mehtap Işık Bennett @_Mehtap_Isik_]

@ChandanePriti This position is for full-time remote work.

[Mehtap Işık Bennett @_Mehtap_Isik_]

I have an exciting co-op/internship opportunity at #Moderna for computational chemistry and biophysics graduate students! The student will work on modeling membrane permeability and will be mentored by me. Please reach out if you’d like to learn more.
https://t.co/f9OHDZ9F3b

[Mehtap Işık Bennett @_Mehtap_Isik_]

@chrispeniel00 Yes, most likely.

[samplchallenges @samplchallenges]

Our SAMPL8 pKa challenge is closed (and experimental values are up) and our logD challenge is up and running! Details at https://t.co/Y3GlkIsYom ; submissions due Aug. 25. Submission server: https://t.co/OmCnP3ROPb

#compchem

[Mehtap Işık Bennett @_Mehtap_Isik_]

@pwk2013 @jchodera @samplchallenges Thank you for your suggestions.

[Mehtap Işık Bennett @_Mehtap_Isik_]

The overview paper of the #SAMPL6 pKa Challenge is now available on bioRxiv! We report strategies to evaluate microscopic and macroscopic pKas in detail based on the most accurate interpretation of the experimental reference data. https://t.co/Z4lTMS1V0K @samplchallenges

[samplchallenges @samplchallenges]

Ready for a virtual conference? We’re having a SAMPL workshop Nov. 4 in connection with the GCC 2020 workshop. It’s timed so both European and US folks can join, and will be hot on the heels of the current SAMPL7 physical properties challenge! https://t.co/dFVtHX9559 #compchem

[Mehtap Işık Bennett @_Mehtap_Isik_]

(11/11) I am grateful for the contributions of SAMPL Challenge participants, collaborators, and authors of this publication (@DBergazin, Thomas Fox, @andrrizz, @jchodera, and @davidlmobley).

[Mehtap Işık Bennett @_Mehtap_Isik_]

(1/11) Our latest @samplchalenges paper is available! It presents an overview of the #SAMPL6 logP Challenge, reporting performance and lessons learned for computational predictions of octanol-water partition coefficients. https://t.co/S1I42jema1

[Mehtap Işık Bennett @_Mehtap_Isik_]

(10/11) Although the SAMPL6 logP Challenge used a comparatively small dataset, this prospective comparative evaluation of methods led to numerous lessons and provided direction for improvement of small-molecule solvation models and the design of future challenges.