Industrializing scientific discovery to radically improve lives.
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PhD student @MIT โข Research on Generative Models for Biophysics and Drug Discovery
It's not what you look like when you're doin what you're doin- it's what you're doin when you're doin what you look like you're doin
Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
PostDoc simulating biomolecules at the University of Copenhagen
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Computational biochemist (ligand binding kinetics, crowding)
Junior group leader at the Technical University Berlin
Associate editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Associate professor at the University of Milano.
Biophysics and computational structural biology.
http://compsb.unimi.it
Developer @plumed.org
https://orcid.org/0000-0002-9923-8590
Computational biophysicists at Arizona State University; MDAnalysis (@MDAnalysis.bsky.social) developer. Opinions my own.
Research Group: https://becksteinlab.physics.asu.edu/
MDAnalysis: https://www.mdanalysis.org/
Covalent drug discovery; structure-function and structure-activity relationships; pH-responsive materials
Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org ๐ณ๏ธโ๐๐ช๐บ
https://www.rdkit.org
https://github.com/rdkit/rdkit
* Founder and Chief Innovation Officer at Psivant Therapeutics
* Past:
* Chief Computational Scientist at Roivant
* Founding CSO at Silicon Therapeutics
* Global Head, Applications Science at Schrodinger
* Education:
* PhD MIT
* BA & BS UCSB
Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences.
Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff...
Does some ceramics, i.e., potters around.
Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.