Organizing the largest workshop concerning Free Energy calculations within the United States.
Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
Medicinal chemist / chemical biologist, author of “In the Pipeline” at http://science.org/blogs/pipeline. derekb.lowe@gmail.com and on Signal at Dblowe.18
All opinions are mine; I don’t speak for my employer in any way.
Associate Professor in the School of Biological Sciences at the University of Southampton, head chef at https://GlycoShape.org, Salem's butler, fucose fanatic #glycotime everyday! She/Her
Computational chemist at the Institute for Molecular Modeling and Simulation at BOKU in Vienna.
Computational Biologist and Team Lead at Schrodinger. Proteins & Python. Opinions are my own.
https://joaor.eu
Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
Generally lost in alchemical space - Science Lead at Open Free Energy, Emeritus MDAnalysis core developer.
You can find me on github at @IAlibay and sometimes in Macclesfield (UK).
Promoting fundamental research on advanced computational methods
Working with data in the molecular sciences. https://www.mdanalysis.org
Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
Posting about all things related to Data-driven research and the Physical Sciences Data Infrastructure programme funded by EPSRC.
www.psdi.ac.uk
The official account for the University of Southampton. Founding member of the Russell Group.
Ranked among the top 100 universities worldwide.
We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | @foldingathome.org | PhD with @drgregbowman.bsky.social | Variant Effects, Protein dynamics, Dogs, Games 🇮🇳🇸🇬🇺🇸
My website: https://sukritsingh.github.io
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.
* 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
Research associate in comp chem in the Mulholland group at Bristol.
Working on better modellinh methods for metalloenzymes.
Love public engagement & teaching
https://jasmin-guven.github.io
Pronouns: She/her
All views are my own.
Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social | FRSC (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Postdoc in the Cole Group at Newcastle University interested in molecular mechanics force field development and free energy calculations.
Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Head of Computational Drug Discovery and Data Science at Structure Therapeutics | GPCR | SBDD | CADD | Cheminformatics | Computational Chemistry | Medicinal Chemistry | Drug Design
the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
Computational chemist l PhD from John Chodera's group @ MSKCC
AI for drug design | Oxford DPhil student | MChem | RSci | opinions my own
Cheminformatician/computational-biochemist working on drug discovery (señor postdoc, CMD-PX / OPIG, University of Oxford)
⌬ ⚗️💻
Author of michelanglo.sgc.ox.ac.uk and Fragmenstein
Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Achira | http://achira.ai
Research laboratory | http://choderalab.org
Antiviral drug discovery for pandemics | http://asapdiscovery.org
OpenADMET | http://openadmet.org
Employer-mandated disclaimer: http://choderalab.org/disclaimer
Pronouns: he/him
Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net
Cheminformatics, ML, Drug Discovery
ASAP uses artificial intelligence and computational chemistry to accelerate structure-based open science antiviral drug discovery and deliver oral antivirals for pandemics with the goal of global, equitable, and affordable access.
On the ambitious mission to develop a safe, globally accessible, and affordable antiviral pill for COVID-19.
postera.ai/moonshot/
With the future of the world in the balance, everyone has a role to play in making it better. How will you join in?
🌐 Website: www.rsc.org
https://www.rdkit.org
https://github.com/rdkit/rdkit
official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app
