Terra Sztain
@terrasztain.bsky.social
Assistant Prof. Medicinal Chemistry and Biophysics @UMich | Dynamics and AI guided molecular design https://pharmacy.umich.edu/sztainlab
Preprint update!!!
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
November 4, 2025 at 11:39 PM
Preprint update!!!
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins.
www.biorxiv.org/content/10.1101/2024.09.20.614179v2
Using AI/ML for drug discovery? UM is hiring tenure track faculty at multiple ranks! please share and feel free to reach out if you have any questions.
careers.umich.edu/job_detail/2...
careers.umich.edu/job_detail/2...
October 20, 2025 at 1:30 PM
Using AI/ML for drug discovery? UM is hiring tenure track faculty at multiple ranks! please share and feel free to reach out if you have any questions.
careers.umich.edu/job_detail/2...
careers.umich.edu/job_detail/2...
Grateful I was invited to share our recent efforts searching through sequence, structure, and chemical space to predict and combat antiviral drug resistance at the last Antiviral Drug Discovery (AViDD) Open Science Forum before it went on hold:https://youtu.be/FCZ0lFBs5sQ?si=Y7SBdksMSKI9Yedd
Terra Sztain’s 2025-07-16 Antiviral Drug Discovery (AViDD) Open Science Forum Talk
YouTube video by AViDD Open Science Forum
youtu.be
October 3, 2025 at 12:28 PM
Grateful I was invited to share our recent efforts searching through sequence, structure, and chemical space to predict and combat antiviral drug resistance at the last Antiviral Drug Discovery (AViDD) Open Science Forum before it went on hold:https://youtu.be/FCZ0lFBs5sQ?si=Y7SBdksMSKI9Yedd
Currently interviewing candidates for Lab Manager Position
* expertise conducting high impact research with protein NMR spectroscopy required.
* this should be demonstrated by multiple first author publications.
* expertise conducting high impact research with protein NMR spectroscopy required.
* this should be demonstrated by multiple first author publications.
July 8, 2025 at 10:13 PM
Currently interviewing candidates for Lab Manager Position
* expertise conducting high impact research with protein NMR spectroscopy required.
* this should be demonstrated by multiple first author publications.
* expertise conducting high impact research with protein NMR spectroscopy required.
* this should be demonstrated by multiple first author publications.
Today Mortaza Derakhshani, PhD will be presenting "Enzyme Engineering for Sustainable Nylon Recycling" at the ACS Great Lakes Regional Meeting!
June 4, 2025 at 1:39 PM
Today Mortaza Derakhshani, PhD will be presenting "Enzyme Engineering for Sustainable Nylon Recycling" at the ACS Great Lakes Regional Meeting!
PhD student in the lab, Daniel Santos Perez gave his first poster presentation today at the Midwest Theoretical Chemistry Conference!
Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"
Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"
May 30, 2025 at 9:07 PM
PhD student in the lab, Daniel Santos Perez gave his first poster presentation today at the Midwest Theoretical Chemistry Conference!
Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"
Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"
Reposted by Terra Sztain
AlphaFold is amazing but gives you static structures 🧊
In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃
Code: github.com/KULL-Centre/...
Colab: github.com/matteo-cagia...
In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃
Code: github.com/KULL-Centre/...
Colab: github.com/matteo-cagia...
April 17, 2025 at 7:11 PM
AlphaFold is amazing but gives you static structures 🧊
In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃
Code: github.com/KULL-Centre/...
Colab: github.com/matteo-cagia...
In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃
Code: github.com/KULL-Centre/...
Colab: github.com/matteo-cagia...
We have Easter eggs on the lab windowsill!!
April 12, 2025 at 1:20 PM
We have Easter eggs on the lab windowsill!!
Reposted by Terra Sztain
This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.
📢Important announcement! Today, the @asapdiscovery.bsky.social consortium disclosed the structure of our preclinical candidate, ASAP-0017445, a promising broad-spectrum antiviral with potent activity against SARS-CoV2 and other viruses belonging to the same family. (1/10)
March 25, 2025 at 7:47 PM
This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.
Many of the sessions I've been in at #ACSSpring2025 have had almost exclusively (white) male speakers 👀 Can folks please link some of your favorite speakers who could be invited to help balance this?
March 25, 2025 at 4:26 PM
Many of the sessions I've been in at #ACSSpring2025 have had almost exclusively (white) male speakers 👀 Can folks please link some of your favorite speakers who could be invited to help balance this?
Hard to overhear some of these conversations of those who choose to be silent for fear of being targeted, when many of us dont have a choice of whether or not to be targeted.
March 24, 2025 at 4:19 PM
Hard to overhear some of these conversations of those who choose to be silent for fear of being targeted, when many of us dont have a choice of whether or not to be targeted.
I guess I have a color pallete
March 24, 2025 at 3:43 PM
I guess I have a color pallete
Reposted by Terra Sztain
regarding Columbia University, I just learned about this (anonymous) account of negotiations of the Hitler regime in the 1930s with Frankfurt University -- Germany's most prestigious university at the time:
March 24, 2025 at 1:57 PM
regarding Columbia University, I just learned about this (anonymous) account of negotiations of the Hitler regime in the 1930s with Frankfurt University -- Germany's most prestigious university at the time:
Headed to San Diego ☀️
for #ACSSpring2025
for #ACSSpring2025
March 23, 2025 at 2:49 PM
Headed to San Diego ☀️
for #ACSSpring2025
for #ACSSpring2025
Reposted by Terra Sztain
Resources for Federal Scientists from the Union of Concerned Scientists
Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪
www.ucs.org/resources/re...
Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪
www.ucs.org/resources/re...
Resources for Federal Scientists
Are you a federal scientist, contractor, or federal worker? Here are resources to have on hand during the Trump administration.
www.ucs.org
March 22, 2025 at 1:53 AM
Resources for Federal Scientists from the Union of Concerned Scientists
Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪
www.ucs.org/resources/re...
Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪
www.ucs.org/resources/re...
Reposted by Terra Sztain
Trump just directed the DOJ to attempt to disbar attorneys who take legal action against the executive branch while also indicating they will do the same to immigration attorneys.
www.whitehouse.gov/presidential...
www.whitehouse.gov/presidential...
March 22, 2025 at 5:15 AM
Trump just directed the DOJ to attempt to disbar attorneys who take legal action against the executive branch while also indicating they will do the same to immigration attorneys.
www.whitehouse.gov/presidential...
www.whitehouse.gov/presidential...
Reposted by Terra Sztain
It was great to catch up with friends at APS: Pilar Cassio, @rocovino.bsky.social Jutta Rogal, Berend Smit, Tess Smidt and @terrasztain.bsky.social
March 20, 2025 at 10:42 PM
It was great to catch up with friends at APS: Pilar Cassio, @rocovino.bsky.social Jutta Rogal, Berend Smit, Tess Smidt and @terrasztain.bsky.social
Reposted by Terra Sztain
You cannot negotiate with terrorists. If the Ivies give in to any regime demands, the goal posts will move. If the massive ivy endowments aren’t deployed to preserve institutional integrity and academic freedom, what on earth are they for?
March 19, 2025 at 9:19 PM
You cannot negotiate with terrorists. If the Ivies give in to any regime demands, the goal posts will move. If the massive ivy endowments aren’t deployed to preserve institutional integrity and academic freedom, what on earth are they for?
Reposted by Terra Sztain
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Reposted by Terra Sztain
This breaks my heart. My salary at St. Jude was paid through our comprehensive cancer center grant. My wife's oncologist is at a comprehensive cancer center. Millions of children and adults with cancer get treatment in these 57 centers around the country. These are essential locations for research.🧪
The NCI grant supporting the Columbia comprehensive cancer center was terminated. Tell me how terminating support for cancer research helps the economy.
taggs.hhs.gov/Content/Data...
taggs.hhs.gov/Content/Data...
March 19, 2025 at 1:59 AM
This breaks my heart. My salary at St. Jude was paid through our comprehensive cancer center grant. My wife's oncologist is at a comprehensive cancer center. Millions of children and adults with cancer get treatment in these 57 centers around the country. These are essential locations for research.🧪
Reposted by Terra Sztain
This was a massive team effort and I'm forever grateful for the full list of authors helping me to drive this one into the endzone! Thank you to Anthony Bogetti, Carla Calvó-Tussell, @mackevinbraza.bsky.social, @lcasalino88.bsky.social, Amanda Gramm, Sean Braet, @miarosenfeld.bsky.social,... (1/2)
Nevertheless, we persisted ❤️
📣 NEW BIORXIV ALERT!! 🚨
Using WE MD, linguistic pathway clustering, dynamical network analyses, and HDXMS we reveal a hidden allosteric network within the SARS2 spike S1 domain and predict how the D614G mutation impacts this network!
www.biorxiv.org/content/10.1...
📣 NEW BIORXIV ALERT!! 🚨
Using WE MD, linguistic pathway clustering, dynamical network analyses, and HDXMS we reveal a hidden allosteric network within the SARS2 spike S1 domain and predict how the D614G mutation impacts this network!
www.biorxiv.org/content/10.1...
D614G reshapes allosteric networks and opening mechanisms of SARS-CoV-2 spikes
The SARS-CoV-2 spike glycoprotein binds human epithelial cells and enables infection through a key conformational transition that exposes its receptor binding domain (RBD). Experimental evidence indic...
www.biorxiv.org
March 13, 2025 at 4:26 PM
This was a massive team effort and I'm forever grateful for the full list of authors helping me to drive this one into the endzone! Thank you to Anthony Bogetti, Carla Calvó-Tussell, @mackevinbraza.bsky.social, @lcasalino88.bsky.social, Amanda Gramm, Sean Braet, @miarosenfeld.bsky.social,... (1/2)
Excited and honored to be part of such an incredible lineup at the APS meeting next week!!
March 11, 2025 at 3:57 PM
Excited and honored to be part of such an incredible lineup at the APS meeting next week!!