Robuta

https://www.choderalab.org/news/2024-ellis-ml-workshop-berlin ELLIS ML4Molecules Workshop in Berlin — Chodera lab // MSKCC Dec 6, 2024 - I recently had the privilege of speaking at the ELLIS ML4Molecules Workshop at the Fritz-Haber Institute in Berlin on 6 Dec 2024. You can find a copy of my... chodera labellisworkshopberlinmskcc https://www.choderalab.org/links Links — Chodera lab // MSKCC chodera lablinksmskcc https://www.choderalab.org/disclosures Disclosures — Chodera lab // MSKCC chodera labdisclosuresmskcc https://www.choderalab.org/jobs Jobs — Chodera lab // MSKCC chodera labjobsmskcc https://www.choderalab.org/research-projects/automated-ligand-design Automated ligand design — Chodera lab // MSKCC Jun 27, 2017 - We have developed an enhanced sampling approach that allows us to explore combinatorially large spaces of inhibitor designs in a way that automatically biases... chodera labautomatedliganddesignmskcc https://www.choderalab.org/research-projects/2016/12/26/bayesian-inference-and-error-modeling-for-experimental-data Bayesian inference and error modeling for experimental data — Chodera lab // MSKCC Dec 27, 2016 - All experimental assay data contains error arising from uncertainties in initial compositions, dispensed masses or volumes, measurement noise, model fitting... bayesian inferencechodera laberrormodelingexperimental https://www.choderalab.org/news News — Chodera lab // MSKCC chodera labnewsmskcc https://www.choderalab.org/data Data — Chodera lab // MSKCC chodera labdatamskcc https://www.choderalab.org/news/2025-ml-foundry-ai-for-science-symposium ML Foundry AI for Science Symposium — Chodera lab // MSKCC May 19, 2025 - I really enjoyed presenting a poster at the AI for Science Symposium hosted by ML Foundry on Fri 16 May 2025. You can check out the poster here: [PDF] foundry aichodera labmlsciencesymposium https://www.choderalab.org/location Location — Chodera lab // MSKCC chodera lablocationmskcc https://www.mskcc.org/research/ski/labs/john-chodera The John Chodera Lab | Sloan Kettering Institute Computational chemist John Chodera uses statistical mechanics, molecular modeling, and automated biophysical experiments to help identify new potential... lab sloan ketteringjohnchoderainstitute https://www.choderalab.org/research-projects/kinase-inhibitor-selectivity Kinase inhibitor selectivity and design — Chodera lab // MSKCC May 30, 2020 - Selective kinase inhibitors---such as the blockbuster drug imatinib---have shown tremendous promise in the treatment of cancers involving kinase dysregulation.... kinase inhibitorchodera labselectivitydesignmskcc https://www.choderalab.org/publications Publications — Chodera lab // MSKCC John Chodera publications chodera labpublicationsmskcc https://www.choderalab.org/research Research — Chodera lab // MSKCC chodera labresearchmskcc https://www.choderalab.org/3dparts 3D Parts — Chodera lab // MSKCC chodera labpartsmskcc https://www.choderalab.org/research-projects/targeted-nanoparticles Nanoparticles for targeted drug delivery — Chodera lab // MSKCC May 29, 2020 - The Heller lab at MSKCC has discovered that poorly soluble kinase inhibitors mixed with specific indocyanine dye excipients will spontaneously form... drug deliverychodera labnanoparticlestargetedmskcc https://www.choderalab.org/research-projects/rational-design-of-small-molecules Rational design of small molecules — Chodera lab // MSKCC Jul 1, 2017 - To enable truly rational computational design of small molecules, we are developing new algorithms and open source tools for alchemical free energy... small moleculeschodera labrationaldesignmskcc https://www.choderalab.org/ Chodera lab // MSKCC The Chodera lab at the Memorial Sloan-Kettering Cancer Center chodera labmskcc