1/5
We just published a ML paper from Alexey Akimov/UB Dept of Chemistry in JCIM & JCTC Journals using Libra/CP2K!
Can we directly get from one level of theory to another? Like from PBE to B3LYP or HSE06? The answer is 'Yes'! The secret? 'Kohn-Sham Hamiltonian matrix'.
doi.org/10.1021/acs.jc…

A kinetic analysis of GPDH highlights the important catalytic advantages obtained by an enzyme that undergoes substrate driven induced-fit conformational changes.

From Cristobal, Hegazy and Richard UB Dept of Chemistry

pubs.acs.org/doi/10.1021/ac…

#hydridetransfer
#enzymeevolution

pubs.acs.org/doi/10.1021/ac… Just published in Biochemistry. This paper highlights important catalytic advantages obtained by many enzymes that undergo substrate driven induced-fit conformational changes.

Very happy to be included in this list! 😊

Just another day at the YCL lab…

So impressive! Prof. Luis R. De Jesús Báez just gave an excellent talk on the exciting new results coming out of his lab UB Dept of Chemistry . Looking forward to more exciting results in the future!

A new #UBuffalo study may offer a more streamlined approach to developing cancer drugs.💊

Chemistry professor David Heppner and his team's findings suggest that the placement of linkers should be determined earlier on in fragment-based drug discovery. buffalo.edu/news/releases/…

New paper from the Heppner Lab!

🌿 Meet Dr. Diana Aga from UB Dept of Chemistry! Passionate about understanding our environment, we're dedicated to tracking contaminants that impact our health and ecosystems. From persistent pollutants to pharmaceutical residues, we're on a mission to protect our planet. #STEM 🌎💧

The #UBuffalo Department of Chemistry (UB Dept of Chemistry) is hosting a #GWB2024 event on Feb. 27.

Register to celebrate women scientists’ triumphs and discuss ways to overcome the barriers they still face. buffalo.edu/ubnow/stories/…

Indeed I’m honored and blessed to see the success of so many ppl I’ve been in touch through the yrs-thank you all-this is for you. UB Dept of Chemistry UPR Cayey Sloan Foundation C&EN (Chemical & Engineering News) @ACS_ANYL ACS SCSC American Chemical Society U.S. National Science Foundation UBuffalo Arts and Sciences | University at Buffalo PAESMEM

One of our absolute favorite UB Dept of Chemistry professors was honored with an @AAAS Lifetime achievement award! Luis A. Colón is a *tireless* advocate for students and has made a difference at #UBuffalo beyond his discipline. Congratulations!! #STEM #diversity
buffalo.edu/ubnow/stories/…

Dive into ideas! Join us for the #LifeRaftDebate and vote for Professor Diana Aga! University at Buffalo Honors College UB Dept of Chemistry UBuffalo Science News

The full results of the #2023USCGC are now available at:
uscrystalgrowingcompetition.org/uscgc-winners
Pdf incls a pic of the top 10 crystals from each category and scores for the 188 crystals sent in! Another all time high for US Crystal Comp! 🥳🥳🥳
THANK YOU to all of our participants and sponsors!

Congrats to Mayuresh Janpandit for his first paper ACS Applied Materials & Interfaces. This is also our group's first paper into Na ion batteries research. Definitely more to come! UB Dept of Chemistry

pubs.acs.org/doi/full/10.10…

A research team led by @ubuffalo has developed synthetic molecules that could help unclog mucus from the lungs of people suffering from cystic fibrosis.

Learn more: aau.edu/research-schol…

As covalent inhibitors gain popularity, drug hunters need to beware of pitfalls. Here's how to avoid them:
practicalfragments.blogspot.com/2024/01/covale…
American Chemical Society @jmedchem AssayQuant Technologies, Inc. UBuffalo Universität Tübingen

Phase-Pure Zirconium Metal–Organic Polyhedra Enabled by a Ligand Substitution Strategy

By Cook Lab Buffalo!, @meghan_sulliva, Heshali Welgama, Matthew Crawley and more from UB Dept of Chemistry!

Read the paper 👉 go.acs.org/7In

Big news from the Gionfriddo's lab! We moved to University at Buffalo to join UB Dept of Chemistry! We are very much looking forward to this next chapter while cherishing the good memories from UTChemistry! Go Bulls! #UBuffalo #Good2BeBlue #UBHornsUp

We couldn’t be happier to have you in our department, Emanuela Gionfriddo!!!