Ivy Zhang @ivyzhang__
Computational chemist | PhD from @jchodera's group at @MSKCancerCenter @WeillCornell @ivyzhang.bsky.social New York, New York Joined May 2019-
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🎯Reminder about 2025 #GRS in Computer-Aided Drug Design! If you're interested in joining us, be sure to apply soon - applications are already under review as @ivyzhang__ and I, are shaping the program. We hope to see many of you in Maine this summer! #CADDGRS2025 #compchem
🎯Reminder about 2025 #GRS in Computer-Aided Drug Design! If you're interested in joining us, be sure to apply soon - applications are already under review as @ivyzhang__ and I, are shaping the program. We hope to see many of you in Maine this summer! #CADDGRS2025 #compchem
1/ Thrilled to share an advancement in gene therapy from my PhD in @NatureComms! We've developed a new approach to reduce immune responses while maintaining efficiency—paving the way for safer, more effective therapies. Big thanks to @zhangf & @mircoscopy! bit.ly/redicas9
I'm thrilled to announce a new preprint describing collaborative work with @prof_ajay_jain and Ann Cleves Jain, "Deep-Learning Based Docking Methods: Fair Comparisons to Conventional Docking Workflows". arxiv.org/abs/2412.02889
I'm on the job market looking for faculty positions! If you want to talk about protein dynamics, precision medicine, drug resistance, and/or puppy photos, reach out!
Registration is now open for the next CADD GRS, taking place at the University of Southern Maine July 12-13, 2025! Great opportunity for early career scientists interested in computer-aided drug design to present their work and network
Registration is now open for the next CADD GRS, taking place at the University of Southern Maine July 12-13, 2025! Great opportunity for early career scientists interested in computer-aided drug design to present their work and network
Metient reconstructs the migration histories of metastatic cancers by scoring a Pareto front of parsimonious histories. It can be auto-calibrated to different cohorts. Superstar PhD student @divyakoyy will present at #ISMB2024 in MLCSB Check it out: biorxiv.org/content/10.110…
✨New paper alert @CD_AACR✨ - GDD-ENS distinguishes 38 cancer types (>96% of patients) w/ high accuracy using routinely collected DNA sequencing data #MSKIMPACT and generalizes well to other gene panels w/o retraining - CNAs (arm/gene level) are key features for classification
✨New paper alert @CD_AACR✨ - GDD-ENS distinguishes 38 cancer types (>96% of patients) w/ high accuracy using routinely collected DNA sequencing data #MSKIMPACT and generalizes well to other gene panels w/o retraining - CNAs (arm/gene level) are key features for classification
This was a good week! Sent in my first ERC grant proposal, my multimap targeted free energy perturbation paper was published in PNAS (doi.org/10.1073/pnas.2…), and arXived a new preprint combining ML collective variables and enhanced path sampling! 1/n arxiv.org/abs/2311.05571
🚨ANNOUNCEMENT🚨 The @covid_moonshot is now published in @ScienceMagazine! The paper reflects the major contributions of the FAH community and a global network of scientists collaborating to make drug discovery open, globally accessible, and affordable scim.ag/4LB
The COVID Moonshot—an open-science, crowdsourced, and patent-free drug discovery campaign targeting the #SARSCoV2 virus—has yielded a wealth of data that could pave the way for the development of new and better therapeutics. Learn more in Science: scim.ag/4LB
A preprint of the OpenMM 8 paper is out now:
A preprint of the OpenMM 8 paper is out now:
Treatment options are limited for the 3-5% of patients who have cancers of unknown primary. So, we are excited to present 💥GDD-ENS💥: a highly accurate, comprehensive tumor type classifier based on data from a routinely applied FDA-authorized test 🧵 medrxiv.org/content/10.110…
The latest Practical Cheminformatics post, "We Need Better Benchmarks for Machine Learning in Drug Discovery", turned into a bit of a rant, but I had a lot I needed to say. #might_ruffle_some_feathers practicalcheminformatics.blogspot.com/2023/08/we-nee…
Now out in JCTC: Our paper on our Separated Topologies method for more flexible relative free energy calculations, combining benefits of relative and absolute calculations. pubs.acs.org/doi/10.1021/ac…
So excited to be in Hawaii @icmlconf presenting work w/ @quaidmorris, and to win best poster award!! Thanks for a great workshop @icml_compbio
So honored to receive this award! A million thanks and congratulations to my partner in crime @juuuulianaar, and to ISCB and ISMB organizers for an all-around amazing conference! One of my favorites to date🎉
So honored to receive this award! A million thanks and congratulations to my partner in crime @juuuulianaar, and to ISCB and ISMB organizers for an all-around amazing conference! One of my favorites to date🎉
Very excited to share that our work on protein:protein complex free energy calculations has now been published! pubs.acs.org/doi/abs/10.102… Thanks so much to Dominic Rufa, Iván Pulido, @mikehenry42, @sukritsingh92 from @jchodera’s group + Laura Rosen, Kevin Hauser from @Vir_Biotech!
Very excited to share that our work on protein:protein complex free energy calculations has now been published! pubs.acs.org/doi/abs/10.102… Thanks so much to Dominic Rufa, Iván Pulido, @mikehenry42, @sukritsingh92 from @jchodera’s group + Laura Rosen, Kevin Hauser from @Vir_Biotech!
Had a great time at my first in-person free energy workshop #alchemy2023 And so honored to have received an award for my poster!
our paper out today in @ScienceMagazine showing how plasticity in early cancer progression influences cells’ ability to communicate w/ their environment! huge thank you & congrats @DirenaAC @LoweLabMSKCC @dana_peer! science.org/doi/10.1126/sc…

John Chodera (he/him) @jchodera
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Cassandra Burdziak @CassBurdziak
673 Followers 411 Following Computational Biology Postdoc at the Dana Pe’er lab at @MSKCancerCenter. Views are my own.
Frank Noe @FrankNoeBerlin
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Mike Henry 🌈🏳�... @mikehenry42
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Sukrit Singh @sukritsingh92
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Antonia Mey @ppxasjsm
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Michael Berger @MFBerger1
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Prof. Anima Anandkuma... @AnimaAnandkumar
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miro astore @miroastore
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OpenMM @openmm_toolkit
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Biology+AI Daily @BiologyAIDaily
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Machine learning for ... @ml4proteins
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MDDB @mddbEU
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