War pushed Russia’s free-thinkers into exile. Can they get their country back? Join us as we investigate in “Next Year in Moscow”, our new podcast econ.st/3Yo6NEW

I learned so much from him at MIT OCW! Thank you, Prof. Strang!

Docking and FEP proprietary? 🙄

I’m on Bluesky as gduarte.

This is a very important conversation that I haven’t seen in STEM circles yet. byzantiumandfriends.podbean.com/e/94-what-acad…

Archaeologists made a remarkable discovery in 2022 when they unearthed a collection of Roman mosaics in the charming city streets of Stari Grad on Hvar Island, Croatia. These mosaics, renowned for their exquisite artistry, are believed to have adorned a structure that belonged to

At Bluesky as gduarte.bsky.social

@okonski_s If you're not breaking glass, you're not doing chemistry.

Twitter still is the best place to find interesting academic posts. Bluesky and Threads are not there yet. #CompChem #AcademicTwitter

Coming soon to a DOCK6 release near you! Excited to share some really awesome work out of the Rizzo Lab by Guilherme Duarte and Steven Pak - on top of interfacing RDKit with DOCK6, they use it to help bias construction in de novo design. See paper below: pubs.acs.org/doi/10.1021/ac…

I’m very happy to share with you my most recent paper in which we biased de novo growth with descriptor calculations in DOCK6! Thanks The Rizzo Lab for the mentoring and Steven Pak for being such a great project partner during my sudden move back to Brazil. pubs.acs.org/doi/10.1021/ac…

1% of reviewers from South America or from Africa. 😵 Should we start a database of potential reviewers from these places? Gratitude to ACS for sharing these numbers.

My worst fear: a MacOSX update messing up with my paths

Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit #RDKit pubs.acs.org/doi/10.1021/ac… Guilherme Duarte The Rizzo Lab #JCIM Vol63 Issue18 #compchem

But no one besides Novartis& Lilly etc. has access to the ligand structure prediction. All the data on ligand binding in the paper is irreproducible and should not have been published. As Reviewer #3 for @nature I recommended taking it out and saving it for promotional material.

Synthetic chemists looking at AI de novo generated molecules 🤖#compchem

Twitter/X is now forbidden in Brazil. This is my goodbye for now. Please, follow my other socials: Bluesky: gduarte.bsky.social Threads: gdrmatos