ivyzhang__'s profile picture. Computational chemist | PhD from @jchodera's group at @MSKCancerCenter @WeillCornell @ivyzhang.bsky.social

Ivy Zhang

@ivyzhang__

Computational chemist | PhD from @jchodera's group at @MSKCancerCenter @WeillCornell @ivyzhang.bsky.social

Ivy Zhang a reposté

🎯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

🚨 Apply to the 2025 Computer-Aided Drug Design GRS! 🚨 Interested in SBDD, physics-based modeling, and ML? Join us at the 2025 CADD GRS! More info and link to apply here: grc.org/computer-aided… @ivyzhang__ @GordonConf #GRS #CADD #caddgrs2025



Ivy Zhang a reposté

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

rumya_r's tweet image. 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

Ivy Zhang a reposté

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

wpwalters's tweet image. 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

Ivy Zhang a reposté

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!

sukritsingh92's tweet image. 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!
sukritsingh92's tweet image. 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!
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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

🚨 Apply to the 2025 Computer-Aided Drug Design GRS! 🚨 Interested in SBDD, physics-based modeling, and ML? Join us at the 2025 CADD GRS! More info and link to apply here: grc.org/computer-aided… @ivyzhang__ @GordonConf #GRS #CADD #caddgrs2025



Ivy Zhang a reposté

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…


Ivy Zhang a reposté

✨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

Now online in @CD_AACR: #DeepLearning Model for Tumor Type Prediction using Targeted Clinical Genomic Sequencing Data @mmdarmofal @MFBerger1 @quaidmorris doi.org/10.1158/2159-8… @MSKCancerCenter

ElizSMcKenna's tweet image. Now online in @CD_AACR: #DeepLearning Model for Tumor Type Prediction using Targeted Clinical Genomic Sequencing Data @mmdarmofal @MFBerger1 @quaidmorris doi.org/10.1158/2159-8… @MSKCancerCenter


Ivy Zhang a reposté

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


Ivy Zhang a reposté

🚨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


Ivy Zhang a reposté

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

ScienceMagazine's tweet image. 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

Ivy Zhang a reposté

A preprint of the OpenMM 8 paper is out now:

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. (arXiv:2310.03121v1 [physics.chem-ph]) #machinelearning #compchem arxiv.org/abs/2310.03121



Ivy Zhang a reposté

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…


Ivy Zhang a reposté

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…


Ivy Zhang a reposté

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…


Ivy Zhang a reposté

So excited to be in Hawaii @icmlconf presenting work w/ @quaidmorris, and to win best poster award!! Thanks for a great workshop @icml_compbio

divyakoyy's tweet image. So excited to be in Hawaii @icmlconf presenting work w/ @quaidmorris, and to win best poster award!! Thanks for a great workshop @icml_compbio
divyakoyy's tweet image. So excited to be in Hawaii @icmlconf presenting work w/ @quaidmorris, and to win best poster award!! Thanks for a great workshop @icml_compbio

Ivy Zhang a reposté

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🎉

A HUGE congratulations to @CassBurdziak and @juuuulianaar for being awarded #ISMBECCB2023 outstanding student paper. So well deserved!!! I am lucky to have such people in my lab.

dana_peer's tweet image. A HUGE congratulations to @CassBurdziak and @juuuulianaar for being awarded #ISMBECCB2023 outstanding student paper.  So well deserved!!!  I am lucky to have such people in my lab.


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!

Interested in predicting mutational impact on protein:protein binding? Our new preprint provides a workflow (using open-source software, Perses) for running free energy calculations on protein:protein complexes, focusing on diagnosis of sampling issues: biorxiv.org/content/10.110…



Had a great time at my first in-person free energy workshop #alchemy2023 And so honored to have received an award for my poster!

Interested in predicting mutational impact on protein:protein binding? Our new preprint provides a workflow (using open-source software, Perses) for running free energy calculations on protein:protein complexes, focusing on diagnosis of sampling issues: biorxiv.org/content/10.110…



Ivy Zhang a reposté

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…


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