Here is how Boltz-1 (green), DynamicBind (magenta), and GNINA (blue) dock a collection of random molecules. GNINA, using a classical sampling algorithm (MCMC) hits all concave regions while the ML samplers have distinct preferences. Boltz is the most likely to induce a fit.
22.11.2024 18:27 — 👍 42 🔁 15 💬 0 📌 1
I’ll be at machine learning in structural biology workshop at NeurIPS this Friday and have a PhD internship position in my group this coming summer. Say hi if you are interested! roche.wd3.myworkdayjobs.com/ROG-A2O-GENE...
13.12.2023 01:41 — 👍 10 🔁 1 💬 0 📌 0
Computational Cryo-EM/ET at Genentech
Love people, the outdoors and building stuff
Complexity is the enemy
All opinions my own
Assistant Professor of Biochemistry at the University of Toronto | Virology, structural biology, chemical biology | He/Him. 🇨🇦🏳️🌈👨🔬
We study enzyme structure and dynamics using biophysical and biochemical tools at Cornell University 🧪 Posts made by students in the Ando Lab
PI: @nozomi-ando.bsky.social
Protein Design / ML @ Profluent Bio | Molecular Biophysics PhD @ Johns Hopkins
PhD Candidate in Computational Biology @ University of Pittsburgh. Working on deep generative models for molecular structure. iandunn.io
Research in AI for Protein Design @Harvard | Prev. CS PhD @UniofOxford, Maths & Physics @Polytechnique
Computational Biology, ML, Microbiology, TB | Asst. Prof @ UMass Amherst CICS | Director, SAGE lab | Obsessed with weird microbes
https://people.cs.umass.edu/~annagreen/
https://sage.cs.umass.edu/
Research Scientist in ML+Bio | Stanford Ph.D. | Google X
Removing barriers to computational drug discovery one bit at a time. Associate Professor in Computational and Systems Biology at the University of Pittsburgh.
https://bits.csb.pitt.edu/
Professor in bioinformatics, Stockholm University. Protein structure lover ( interactions predictions, evolution ..). Using machine learning as a part of AI for Sciences for halv my life. In addition to succén, I sometimes rants about sailing or skiing.
PhD in Computational Biology & ML for Proteins @EPFL
https://sites.google.com/view/damiano-sgarbossa
Rosetta Commons is the central hub for hundreds of developers and scientists from ~100 universities and laboratories to contribute and share the Rosetta source code.
Rosetta Commons members develop software improvements to solve their unique queries.
Assistant Professor @YaleMed | tissue biology, computation, systems biology |
www.hattiechunglab.bio
Johns Hopkins Chemical & Biomolecular Engineering Professor, Co-Director of RosettaCommons, protein engineer, Baltimore resident, father of two. he/him
MIT PhD Student - ML for biomolecules - https://hannes-stark.com/
Digests proteins. High-throughput protein biophysics and design, Northwestern University. www.rocklinlab.org
Scientist. Mom. Coffee snob. Protein nerd.
Structural biologist working on 🖥️ protein design, machine learning🤖, crystallography💎, and cryoEM🔬. Avid weirdness connoisseur 🎩
Cofounder/CEO Octant
BoD Ginkgo Bioworks
Defense Science Board for Emerging Biotech
Fmr: Associate Professor, UCLA
Founder & CEO @jura.bsky.social | Full-stack probabilistic machine learning for the development of genetic medicines | NYC & Basel & Boston
