G. Andrés Cisneros

T-shirt with text: algorithm when programmers don't want to explain what they did heuristic when programmers can't explain what they did machine learning when programmers don't know what they did

This is hot

An update from us here at PBS 💙

Friday vibe

Tell the Supreme Court: No Stay. Hands off NIH The Supreme Court is poised to allow Trump to illegally terminate NIH grants. Let's speak out. There is not much time.

The Supreme Court is reviewing a vitally important NIH case on its shadow docket.

It is likely that the Court will back Trump, and say his (illegal) grant terminations are ok.

We must speak up now.
1/

Effects of a cancer-associated mutation and multiple serine phosphorylation on poly(ADP-ribose) polymerase 2 Poly(ADP-ribose) polymerase 2 (PARP2) plays a crucial role in DNA repair. A common single-nucleotide polymorphism (SNP) in the PARP2 gene, rs3093921, …

Our latest paper on the investigation of PTMs and cancer mutations on PARP2 by Bridget Hughes, Shubham @shubhamchatterjee.bsky.social , and Mozhdeh Ghafari is online:
www.sciencedirect.com/science/arti...

Great job by Rawan who presented her poster during the UTD SPUR Symposium for the project she worked on as a Clark summer research fellow!

“This combustible mixture of ignorance and power, sooner or later, is going to blow up in our faces”

Improvement of the Density Fitting Approach for the Gaussian Electrostatic Model via the use of the Discrete Picard Condition in Tychonov Regularization The Gaussian Electrostatic Model (GEM) is a density-based force field that employs Hermite Gaussian auxiliary basis sets (ABSs) to represent molec- ular electronic densities for accurate intermolecula...

Latest preprint from our group:
Improvement of the Density Fitting Approach for the Gaussian Electrostatic Model via the use of the Discrete Picard Condition in Tychonov Regularization |
#NIHfunded
ChemRxiv - doi.org/10.26434/che...

Congratulations to Dr. Arkanil Roy @arkanil.bsky.social on successfully defending his dissertation🎉
Arkanil is the 14th PhD from our group!

Highly Commended: Entangle - Spinning Physics into Ballet - The Eurekas – A Limit Less Challenge Congratulations to Phoebee who won the Highly Commended Award for the Aged 11 category. Phoebee wrote a physics rap and choreographed a routine to match the science and emotion in the music. Read more...

Check out Phoebee’s entry here: theeurekas.co.uk/submissions/...

Explore the winning and other Highly Commended entries here: theeurekas.co.uk/submissions-...

Comparison of Magnesium and Manganese Ions on the Structural and Catalytic Properties of Human DNA Polymerase Gamma DNA polymerases are essential enzymes responsible for accurate genome replication and repair, with divalent metal cofactors playing a crucial role in their catalytic function. Polymerase γ (Pol γ) is the primary DNA polymerase in mitochondria, ensuring the faithful replication of mitochondrial DNA. The choice of metal cofactor, typically magnesium (Mg2+) or manganese (Mn2+), influences its structural stability, enzymatic activity, and fidelity. In this study, we employed molecular dynamics (MD) simulations and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations to investigate how Mg2+ and Mn2+ affect the flexibility, active site stabilization, and catalytic efficiency of Pol γ. Intermolecular interaction analysis of individual residues is consistent with experimental mutagenesis reports and highlights the importance of specific residues, many of which are evolutionarily conserved, and some are involved in pathogenic mutations. It is also observed that Mn2+ enhances catalytic efficiency, exhibiting higher exoergicity (−3.65 kcal mol–1 vs −1.61 kcal mol–1 for Mg2+) and a lower activation barrier. Intermolecular interaction analysis reveals that Mn2+ provides larger stabilization of the transition state and product complex, favoring reaction progression. Investigation of the effects of the electric field in the active site suggests that the O3′ atom on the DNA primer base experiences larger polarization in the system with Mn2+ ions when compared to Mg2+, with dipole directions consistent with the catalytic reaction progress. Our findings highlight a trade-off between structural stability and catalytic efficiency, providing insights into the role of metal ions in mitochondrial polymerase function and their implications for mutagenesis and mitochondrial disorders.

Latest paper from our group by @arkanil.bsky.social:
Comparison of Magnesium and Manganese Ions on the Structural and Catalytic Properties of Human DNA Polymerase Gamma | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/...

Long-Range Destabilizing Effects of Mutations at the Escherichia coli β Clamp Dimer Interface The bacterial processivity factor, the β sliding clamp, endows Pol III DNA polymerase α with efficiency and processivity during DNA replication by tethering α to DNA. The dimeric β clamp is loaded ont...

Latest paper from our group: Great work by Madison Berger @madisonberger.bsky.social in collaboration with Penny Beuning and Melissa Liriano to investigate the effects of mutations on the beta clamp interface:
pubs.acs.org/doi/10.1021/...

WOW. This video needs to be seen by EVERYONE.

If you think this can’t happen to you or someone in your life, you’re delusional.

#MAGAKidnappers

Fantastic day sharing knowledge with the brilliant researchers at NIH who valiantly work to advance the frontiers of science for the cause of improving human health. Thank you again for your service 🙏 🇺🇸

I am so sorry Lynn

Bethesda Declaration — STAND UP FOR SCIENCE Support NIH Staff Now!

I wanted to show support for these brave public servants and to allow others, including the scientific community, to join me. In partnership with @standupforscience.bsky.social‬, we have a way for you to do that... www.standupforscience.net/bethesda-dec...

I stand with #NIH staff

Feliz cumpleaños!🎉🎂

Los Angeles Unified School District
Superintendent Alberto M. Carvalho didn't hold back when expressing his anger and "contempt" after agents with Homeland Security attempted to gain access to two elementary schools earlier this week.

Great to see such strong support for our courageous NIH colleagues, who are standing up for science!

ADD YOUR NAME: Sign the Open Letter in Support of NIH Staff Join the courageous and committed National Institutes of Health (NIH) public servants by adding your name now.

*URGENT* please support NIH research and the NIH employees who are standing up for science at the risk of losing their jobs! Sign *TODAY* in support of the Bethesda Declaration. The senate appropriations committee is reviewing the NIH budget Tuesday at 10 am. SHARE widely! 🧪

NIH indirect cost cuts will affect the economy and employment - Nature Human Behaviour Nature Human Behaviour - NIH indirect cost cuts will affect the economy and employment

Out now in @nathumbehav.nature.com: Cuts to NIH funding will impact the economy and employment nationwide. We visualize these losses and advocate for a theory-driven approach to communicating local, self-relevant impact. w/ @joshuasweitz.bsky.social + SCIMaP team:

www.nature.com/articles/s41...

When theory came first: a review of theoretical chemical predictions ahead of experiments For decades, computational theoretical chemistry has provided critical insights into molecular behavior, often anticipating experimental discoveries. This review surveys twenty notable examples from t...

Twenty case studies showing theoretical predictions in chemistry that were later confirmed experimentally. #CompChem 🧪

doi.org/10.1515/pac-...

Thanks to @torabifardlab.bsky.social @jppiquem.bsky.social Pengyu Ren, Jay Ponder, all participants, and everyone at @utdallas.bsky.social who have helped make TinkerDev25 a success!

Honored to co-organize/co-host TinkerDev25 with @torabifardlab.bsky.social @jppiquem.bsky.social Pengyu Ren and Jay Ponder

YouTube video by Amanpour and Company Breakthrough Prize-Winning Biochemist on the Deadly Cost of Funding Cuts | Amanpour and Company

David Liu @harvard.edu beautifully articulates the criticality of basic science funding for developing revolutionary therapeutics like life-saving base editors 👏

youtu.be/8YhJM6zxYDw?...

Welcome to #BlackInBiophysicsWeek 2025!!!

We hope you are enjoying the holiday and long weekend. 😊

Today we are celebrating ✨#BlackExcellence✨ in biophysics! Use our #BIBPSRollCall hashtag or tag us and tell us about yourself. We want to hear all about you! 🤩

#BIBPSWeek

Is a photo subversive? NSF staff overcome obstacles to 75th anniversary portrait Management tried to quash outpouring of support for beleaguered agency

“Hundreds of National Science Foundation staffers turned out this week for a group photograph to celebrate the besieged agency’s 75th anniversary—despite efforts by NSF officials to prevent the picture from being taken.”

www.science.org/content/arti...

Pretty amazing graphic to go with the @financialtimes.com article about the cost of Trump's attack on US science

NIH is HUGE!

www.ft.com/content/67fd...