G. AndrΓ©s Cisneros's Avatar

G. AndrΓ©s Cisneros

@cisnerosres.bsky.social

Professor #compbiophys #compchem @UT_Dallas QM/MM force fields DNA rep./modif., cancer biomarkers, ionic liquids, #SACNAS, views my own, he/Γ©l πŸ‡²πŸ‡½πŸ‡ΊπŸ‡Έ

1,778 Followers  |  1,852 Following  |  88 Posts  |  Joined: 11.12.2023
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Posts by G. AndrΓ©s Cisneros (@cisnerosres.bsky.social)

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A Reality-Based View of Government Funding of Science Getting the diagnosis right before designing treatments

A well-played meme by Jeremy Berg in response to Stuart Buck and Aishwarya Khanduja on their R&D funding piece : https://goodscience.substack.com/p/a-reality-based-view-of-government

18.02.2026 18:00 β€” πŸ‘ 2    πŸ” 3    πŸ’¬ 0    πŸ“Œ 0
Prof. R. Hernandez speaking to UTD-ACS and UTD-SACNAS students

Prof. R. Hernandez speaking to UTD-ACS and UTD-SACNAS students

Prof. Hernandez and comp/theory students

Prof. Hernandez and comp/theory students

Always an honor and a pleasure to host JHU Prof and @acs.org president Dr. R. Hernandez.
Thanks for the fascinating science and all advice and wisdom shared.
Β‘Gracias Rigoberto!

27.02.2026 21:15 β€” πŸ‘ 3    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Waiting to see how long it takes institutions reinstate the diversity, equity, and inclusion programs they shut down, re-hire those they pushed out, and rewrite all the language they rushed to change.

Something tells me it'll likely be a long wait.

19.02.2026 11:47 β€” πŸ‘ 774    πŸ” 177    πŸ’¬ 15    πŸ“Œ 5
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A small polymerase ribozyme that can synthesize itself and its complementary strand The emergence of a chemical system capable of self-replication and evolution is a critical event in the origin of life. RNA polymerase ribozymes can replicate RNA, but their large size and structural ...

A small polymerase ribozyme that can synthesize itself and its complementary strand | Science www.science.org/doi/10.1126/... - this looks super cool, but does it really relate to the origin of life?

13.02.2026 12:26 β€” πŸ‘ 42    πŸ” 16    πŸ’¬ 5    πŸ“Œ 3
Freeman Hrabowski III, the President Emeritus from the University of Maryland Baltimore County, giving a TED talk.

Freeman Hrabowski III, the President Emeritus from the University of Maryland Baltimore County, giving a TED talk.

This is a powerful message from Freeman Hrabowski.

🧡

1/12

09.02.2026 13:51 β€” πŸ‘ 55    πŸ” 40    πŸ’¬ 1    πŸ“Œ 3
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🚨 Epstein survivors release this powerful PSA in advance of the Super Bowl demanding answers from the Justice Department. This is the Super Bowl ad every American should see. Spread it everywhere.

08.02.2026 17:32 β€” πŸ‘ 7290    πŸ” 3024    πŸ’¬ 98    πŸ“Œ 128
Meyerson stage, chandelier and little prince program

Meyerson stage, chandelier and little prince program

Full cast

Full cast

Opening night of the Dallas Opera’s production of The Little Prince with the Greater Dallas Choral Society (GDCS)

07.02.2026 03:37 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0

Really enjoying Colbert's final season of "fuck it, we're going down swinging" tour.

05.02.2026 13:33 β€” πŸ‘ 221    πŸ” 55    πŸ’¬ 4    πŸ“Œ 2
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5-Year-Old Boy Abducted By ICE Gets Wings From Pilot On Flight Home To Minneapolis In Sweet Viral Video

Welcome home, Liam ❀️

02.02.2026 18:02 β€” πŸ‘ 1948    πŸ” 180    πŸ’¬ 34    πŸ“Œ 4
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A reminder that proteins are highly dynamic molecules.

🟧 We have made much progress in measuring & predicting static protein structures, but the dynamics that animate life remain challenging to measure & model.

01.02.2026 12:14 β€” πŸ‘ 35    πŸ” 10    πŸ’¬ 2    πŸ“Œ 0
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This video warrants reposting again & again. ICE is not slowing down in MN. They’re just changing tactics that you must be aware of.
Please, please listen and pass this on.
#StandTogether #Pinks #ProudBlue #OneV1

31.01.2026 16:05 β€” πŸ‘ 896    πŸ” 785    πŸ’¬ 42    πŸ“Œ 76
Bruce Springsteen - Streets Of Minneapolis (Official Audio)
YouTube video by Bruce Springsteen Bruce Springsteen - Streets Of Minneapolis (Official Audio)

I wrote this song on Saturday, recorded it yesterday and released it to you today in response to the state terror being visited on the city of Minneapolis. It’s dedicated to the people of Minneapolis, our innocent immigrant neighbors and in memory of Alex Pretti and Renee Good.

Stay free

28.01.2026 17:02 β€” πŸ‘ 97514    πŸ” 40909    πŸ’¬ 4304    πŸ“Œ 5369
Vibrant color portrait of Jane S. Richardson, the visionary biophysicist and artist who revolutionized structural biology with her invention of ribbon diagrams. She gazes warmly at the camera with a bright, knowing smile that radiates quiet brilliance and decades of curiosity. Her silver-blonde hair woven with gentle waves. Large, elegant dangling earrings catch the light, and she wears a richly patterned brown blouse embroidered with intricate turquoise paisley motifs and delicate beadwork that echoes the molecular elegance she has spent her life depicting. Behind her floats a luminous, dreamlike backdrop of glowing molecular structures--interlocking hexagonal and ribbon-like forms in electric blues, teals, and greens--blending science and art in a single, living canvas.

Vibrant color portrait of Jane S. Richardson, the visionary biophysicist and artist who revolutionized structural biology with her invention of ribbon diagrams. She gazes warmly at the camera with a bright, knowing smile that radiates quiet brilliance and decades of curiosity. Her silver-blonde hair woven with gentle waves. Large, elegant dangling earrings catch the light, and she wears a richly patterned brown blouse embroidered with intricate turquoise paisley motifs and delicate beadwork that echoes the molecular elegance she has spent her life depicting. Behind her floats a luminous, dreamlike backdrop of glowing molecular structures--interlocking hexagonal and ribbon-like forms in electric blues, teals, and greens--blending science and art in a single, living canvas.

Hand-drawn and hand-colored (by Jane Richardson) scientific artwork known as a Richardson ribbon diagram (or β€œribbon model”), one of the iconic visual inventions of Jane Richardson that transformed the way we see and understand protein structures. A graceful, three-dimensional tangle of protein backbone ribbons twists and spirals through space, rendered in soft pencil lines and luminous watercolor hues. Smooth golden-brown coils represent Ξ±-helices that curl like elegant ribbons, while broad teal-green arrows trace the flat, pleated strands of Ξ²-sheets slicing through the molecule with directional purpose. Thin, looping golden threads connect the secondary structures, creating a delicate, almost dance-like choreography of biology’s hidden architecture. The entire form is framed by a simple olive-green mat and dark border, giving the drawing the quiet dignity of both fine art and precise scientific illustrationβ€”a timeless bridge between molecular reality and human imagination.

Hand-drawn and hand-colored (by Jane Richardson) scientific artwork known as a Richardson ribbon diagram (or β€œribbon model”), one of the iconic visual inventions of Jane Richardson that transformed the way we see and understand protein structures. A graceful, three-dimensional tangle of protein backbone ribbons twists and spirals through space, rendered in soft pencil lines and luminous watercolor hues. Smooth golden-brown coils represent Ξ±-helices that curl like elegant ribbons, while broad teal-green arrows trace the flat, pleated strands of Ξ²-sheets slicing through the molecule with directional purpose. Thin, looping golden threads connect the secondary structures, creating a delicate, almost dance-like choreography of biology’s hidden architecture. The entire form is framed by a simple olive-green mat and dark border, giving the drawing the quiet dignity of both fine art and precise scientific illustrationβ€”a timeless bridge between molecular reality and human imagination.

Jane Richardson was born #OTD in 1941

+ Developed the Richardson (ribbon) diagram to represent proteins' 3D structure (becoming a standard representation for protein structures)
+ MacArthur Fellow, 1985
+ Elected, Nat'l Academy of Sciences, 1991
+ President, Biophysical Society, 2012

#WomenInSTEM

26.01.2026 00:06 β€” πŸ‘ 266    πŸ” 93    πŸ’¬ 3    πŸ“Œ 7

The Senate may choose to vote together on the DHS and LHHS bills. Thus, a filibuster on DHS may mean no funding for NIH. What my colleagues are saying:

β€œShut it down, public health will understand. I’ll work without pay again.”
- anonymous NIHer

25.01.2026 05:19 β€” πŸ‘ 776    πŸ” 269    πŸ’¬ 13    πŸ“Œ 16

Particularly of interest to people who want to do protein design in an academic environment w/ many colleagues in basic science (cancer biology, cell signaling, immunology, virology) & clinicians who can drive the discovery of new targets for hard-to-treat diseases & bring therapeutics to patients.

19.01.2026 21:38 β€” πŸ‘ 13    πŸ” 6    πŸ’¬ 0    πŸ“Œ 0
A person holding out their arm while people line up on it. The hedline is: One mentor isn’t enough. Here’s how I built a network of mentors

A person holding out their arm while people line up on it. The hedline is: One mentor isn’t enough. Here’s how I built a network of mentors

"One email at a time, one informational interview after another, I became comfortable, confident, and strategic in building my network of mentors."

One mentor isn’t enough, wrote Erika Moore in this 2021 Working Life essay. https://scim.ag/3Zfm0e8 #NationalMentoringMonth

15.01.2026 22:03 β€” πŸ‘ 42    πŸ” 13    πŸ’¬ 1    πŸ“Œ 3

The Matilda Effect: what an infuriating but all too familiar narrative of credit for discoveries owed to women in science being *stolen* by male colleagues who then go on to reap the recognition/profits from it and behave so appallingly.

18.01.2026 12:28 β€” πŸ‘ 31    πŸ” 20    πŸ’¬ 0    πŸ“Œ 1
Green Day - American Idiot [Official Music Video] [4K Upgrade]
YouTube video by Green Day Green Day - American Idiot [Official Music Video] [4K Upgrade]

www.youtube.com/watch?v=Ee_u...

08.01.2026 22:27 β€” πŸ‘ 6    πŸ” 3    πŸ’¬ 0    πŸ“Œ 1
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Extending QM/GEM Capabilities: Geometry Optimization and Multipoles Applied to Molecular Cooperativity Studies. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods have become a powerful tool for simulating complex molecular systems, offering a balance between accuracy and computational efficiency. The...

Last pre-print of 2025 with Jessica Arcudia and Jorge Nochebuena:
"Extending QM/GEM Capabilities: Geometry Optimization and Multipoles Applied to Molecular Cooperativity Studies."

22.12.2025 20:04 β€” πŸ‘ 6    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0
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We Let AI Run Our Office Vending Machine. It Lost Hundreds of Dollars. An AI agent ran a snack operation in the WSJ newsroom. It gave away a free PlayStation, ordered a live fishβ€”and taught us lessons about the future of AI.

Gift link, probably the funniest thing the Wall Street Journal has done this year.

18.12.2025 15:48 β€” πŸ‘ 3029    πŸ” 1055    πŸ’¬ 99    πŸ“Œ 246
Shubham Chatterjee and G. AndrΓ©s Cisneros

Shubham Chatterjee and G. AndrΓ©s Cisneros

So long to Shubham @shubhamchatterjee.bsky.social, we are proud of all your accomplishments and wish you much success in your postdoc and beyond!

16.12.2025 19:43 β€” πŸ‘ 5    πŸ” 1    πŸ’¬ 1    πŸ“Œ 0
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β€˜Pre-order’ research in sights of science academy president-elect Epilepsy pioneer vows to target β€˜negative view’ of discovery science and β€˜mindset’ of expecting the outcomes in advance

'Berkovic said it was difficult to imagine the Human Genome Project gaining traction in the current funding environment, where policymakers expect predetermined results from their investments. Much of its $3 billion...costs were met, somewhat inexplicably, by the US Department of Energy.' 1/2

10.12.2025 07:39 β€” πŸ‘ 9    πŸ” 4    πŸ’¬ 2    πŸ“Œ 0
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Who is the brillant teacher who found a way to get kids to listen to Beethoven’s 5thβ€”and like it! #AMomentofJoy

01.12.2025 16:16 β€” πŸ‘ 409    πŸ” 149    πŸ’¬ 29    πŸ“Œ 20

Raleigh/Durham!!!! 🚨

29.11.2025 22:35 β€” πŸ‘ 31    πŸ” 28    πŸ’¬ 0    πŸ“Œ 0
Los Alamos National Laboratory, Condensed Matter and Complex Systems Job #AJO31108, 2026 Los Alamos Quantum Computing Summer School, Condensed Matter and Complex Systems, Los Alamos National Laboratory, Los Alamos, New Mexico, US

🚨Applications for LANL's 2026 Quantum Computing Summer School are open!

Please apply here πŸ‘‡

academicjobsonline.org/ajo/jobs/31108

Reposts appreciated!

Deadline to Apply is January 11th 2026. Still, you should go and apply now!

18.11.2025 16:28 β€” πŸ‘ 13    πŸ” 5    πŸ’¬ 1    πŸ“Œ 2
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Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism Molecular simulations have been instrumental in elucidating the SARS-CoV-2 lifecycle, thereby supporting the design and development of antiviral therapies and diagnostic tools for COVID-19. Here, the molecular mechanism of the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp), a potential target for antiviral drugs to treat COVID-19, was explored based on QM/MM simulations with fixed-charge and polarizable force fields (cFF and pFF, respectively). The free energy perturbation (FEP) method allowed exploring the free energy landscape of the enzymatic reaction mechanism, addressing key questions about the initial deprotonation of the 3β€²-OH group of the terminal nucleotide before a nucleophilic attack on the incoming nucleotide takes place. Indeed, among the five mechanisms explored, the most favorable was identified as a three-step process. The first step consists of a proton transfer from the 3β€²-OH group of the terminal nucleotide to a hydroxide group coordinated with an Mg2+ ion. Subsequently, the O3β€² atom nucleophilically attacks the PΞ± atom of the incoming ATP. Finally, a proton is transferred from the water molecule formed in the first step to the Ξ³-phosphate group of the pyrophosphate leaving group, regenerating the Mg2+-coordinated hydroxide group. This mechanism was found to be exergonic, with the rate-determining step being the nucleophilic attack, having a free energy barrier of 15.2 kcal mol–1. Both cFF and pFF yield consistent energetic and geometrical descriptions of the full RdRp-catalyzed reaction. Noncovalent interaction (NCI) and electron localization function (ELF) analyses provide insights into the electronic evolution during the reaction, showing strong polarization on electronic basins associated with the reactive oxygens O3β€² and O3Ξ±. Together, findings contribute to a deeper understanding of the RdRp mechanism, which could aid in the discovery of new antiviral inhibitors.

Latest paper from our group, from Yazdan Maghsoud in collaboration with @vicentmoliner.bsky.social @kswiderek.bsky.social and Maite Roca:
doi.org/10.1021/acs....

25.11.2025 15:28 β€” πŸ‘ 2    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0
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Finally out in @nature.com! We uncovered a mechanistic framework for a general and conserved mRNA nuclear export pathway. www.nature.com/articles/s41.... 1/

19.11.2025 23:21 β€” πŸ‘ 106    πŸ” 42    πŸ’¬ 3    πŸ“Œ 1
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Check the list of confirmed speakers for the MDDB Conference and apply to be part of this excellent lineup ➑️ mddbr.eu/conference/

Present your work, connect with leading experts from the community, and be part of the discussions shaping the future of MD research!

#MDDB #FAIRdata

20.11.2025 10:43 β€” πŸ‘ 10    πŸ” 5    πŸ’¬ 1    πŸ“Œ 0
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TambΓ©m vale para o povo brasileiro.

14.11.2025 23:18 β€” πŸ‘ 28    πŸ” 10    πŸ’¬ 0    πŸ“Œ 1
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Millionaire Tax That Inspired Mamdani Fuels $5.7 Billion Haul in Massachusetts A millionaire levy in Massachusetts that New York City mayoral frontrunner Zohran Mamdani holds up as a model for taxing the rich has generated $3 billion more in revenue than expected without forcing...

NEW: The first two years of Massachusetts' millionaire tax has raised $3 billion more than expected.

And rather than driving the rich away, IPS researchers found that the number of millionaires has *increased.*

Tax the rich. Greg Ryan in @bloomberg.com:

12.11.2025 16:01 β€” πŸ‘ 7125    πŸ” 3131    πŸ’¬ 75    πŸ“Œ 464