David Dotson
@dotsdl
molecules & materials, energy, space; quixotic realist; physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
ID: 2790695709
http://smallerthings.org 29-09-2014 05:08:02
2,2K Tweet
506 Followers
796 Following
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale #cheminformatics pubs.acs.org/doi/10.1021/ac… Joshua Horton @Yoshanuikabundi David Dotson Venkata Krishnan David Mobley John Chodera (he/him) Cresset Cole Group #vol62 #issue22 #JCIM #compchem
We are proud to be a part of the ASAP <asapdiscovery.org> Discovery team and do our best to pursue the development of new antivirals for future pandemics, (ASAP Discovery). Many thanks to John John Chodera (he/him) and the team for organizing this important meeting!
And David Dotson is wrapping up the morning session with discussing #alchemiscale as shared infrastructure created from a shared need between multiple projects.
🚨ANNOUNCEMENT🚨 The COVID Moonshot is now published in Science Magazine! The paper reflects the major contributions of the FAH community and a global network of scientists collaborating to make drug discovery open, globally accessible, and affordable scim.ag/4LB
Delighted for Folding@home to have helped with this exciting drug discovery achievement!
Probably the most important/impactful scientific paper Ive been part of. Very excited to continue this work with ASAP Discovery as a member of the John Chodera (he/him) lab. Also excited to work on Open Free Energy to build a fully open source pipeline for binding free energy calculations
Gave an invited talk a few weeks back at Memorial Sloan Kettering Cancer Center on alchemiscale (github.com/openforcefield…), and how we're working to scale out alchemical free energy calculations to support open data antiviral discovery for ASAP Discovery via Folding@home.
I'm very pleased to announce the launch of #OpenADMET -- a new Open Molecular Software Foundation project and part of a much larger #Avoidome initiative led by James Fraser (A$AP J) John Chodera (he/him) and Sri Kosuri , and funded by ARPA-H.
🦠 We’re excited to announce our first competition in partnership with ASAP Discovery and Open Molecular Software Foundation! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro: 🧩 Ligand Poses: Given a training set of SARS-CoV-2 Mpro X-ray structures, predict
Just found out that Dignity Health in Arizona no longer takes *any* Marketplace insurance plans. So if you're self-employed, pay for your own insurance, and need to see a specialist who happens to be in their sprawling network, sucks to be you. "Hello Humankindness" indeed. 🫠