Anand Ojha
@a_anand_ojha
Flatiron Research Fellow | PhD - UC San Diego| Biophysicist | MOLSSI Fellow | Drug Discovery - cryo-EM- ML Researcher |
** Job Alert**: Are you looking for a postdoc in computational physics (including statistical mechanics, biophysics, fluid mechanics, quantum physics, and molecular dynamics), apply to CCM at the Flatiron Institute apply.interfolio.com/155357
Adv multiscale simulation software predicting protein-ligand (un)binding kinetics for real systems SEEKR now powered by #metadynamics (+ QM + MD + BD + milestoning) k_on, k_off & deltaG for thr-tyr kinase Collab w/ @SHIONOGI_JP @a_anand_ojha pubs.acs.org/doi/10.1021/ac…
Former MolSSI Fellow A. Anand Ojha @a_anand_ojha is lead author on a new Chem Sci. pub: QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations. pubs.rsc.org/en/content/art…
It’s great to see that ML forcefields slowly start to be distributed in versions and packages. The field needs this sort of consolidation and adoption to move from experimenting to production.
Using the recently added MACE multi-GPU support, @PhilippBenner2 burned 1440 A100 hours to train a 16M param universal MACE on MPtrj that achieves a new SOTA on Matbench Discovery, reaching F1 score of 0.64 in crystal stability prediction! 🧵
We now have 9 submissions from 7 groups to the flatiron heterogeneity challenge🎉🎉🎉 Thank you #cryoEM methods development community for your participation! @ those that haven't submitted: please reach out to us if you want more time.
Today is the official close of the inaugural flatiron heterogeneity challenge! We've had 7 submissions and they are looking very interesting. Please reach out to us if you need more time to submit, nobody should miss out. Multiple submissions allowed! simonsfoundation.org/heterogeneity-…
The submission portal for our cryo-EM heterogeneity challenge has been open for a week! Submit away. It will be open until Halloween! #cryoem
An end of workshop announcement 📣!! We are launching a heterogeneity challenge for #cryoem! Check out the details here: simonsfoundation.org/heterogeneity-… Download the datasets and upload your results by Sept 1!
The most bittersweet of honors to give the inaugural Klaus Schulten Lecture in Biological Physics @UofIllinois this week So grateful for his mentorship & my experiences at @ChemistryUIUC @ChBEIllinois ❤️🤓🥲
Cool stuff from @TheVillaLab et al! Fig 2D center looks like the Eye of Sauron! Sequential membrane- and protein-bound organelles compartmentalize genomes during phage infection biorxiv.org/content/10.110…
I'm teaching simulations of nanostructures to the Master @ErasmusMundus Chem NanoEngineering. My course is based on the three mechanics: quantum, classical, and statistical. I hope the students enjoy the course as much as I love teaching it. barbatti.org/molecular-mode…
Cant agree more !
Funds are limited. Mainly for this reason, resources should be given to those with the highest chances to succeed, either because historically successful, or bc immensely promising as young researchers. Distribute limited resources equally is just a waste. Cruel, and true. No?
A reminder that proteins are highly dynamic molecules.
Here you go again @RommieAmaro !!!
Tomorrow we welcome @RommieAmaro an alumna of @ChBEIllinois and @ChemistryUIUC to deliver the inaugural #KlausSchulten Lecture! Welcome back to Alma Mater, Rommie! @tcbguiuc @PhysicsIllinois @BeckmanInst @UofIResearch
Tomorrow we welcome @RommieAmaro an alumna of @ChBEIllinois and @ChemistryUIUC to deliver the inaugural #KlausSchulten Lecture! Welcome back to Alma Mater, Rommie! @tcbguiuc @PhysicsIllinois @BeckmanInst @UofIResearch
Congrats !!!
Expressing much gratitude for this honor and the tireless efforts of my co-workers. @YaleChem news.yale.edu/2023/09/13/wil…
Enjoying the Physics of Viruses school in Bad Honnef 🇩🇪 lLoving the 90-minute per lecture format — wondering who ever convinced us to go any shorter?! 🤓 Thx to @SchwarzUlrich & S. Kloster for organizing! Great place, science, ventilation, food! 😍 #DPGVirusSchool
An incredibly comprehensive review of open-source resources for machine learning in computational chemistry pubs.acs.org/doi/full/10.10…
Advancing Enzyme’s Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning pubs.acs.org/doi/10.1021/ac…
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