Rafal Wiewiora

Computational Chemist at PsiThera | previously @Foldingathome researcher / PhD @choderalab @MSKCancerCenter

[Sukrit Singh @sukritsingh92]

📣The Singh Lab opens at Fox Chase Cancer Center in Spring 2027, where I will be starting as an Assistant Professor! Excited to continue studying how biophysics shapes drug response.

I am hiring across all levels & fields! Apply on the "Join" page (& RT): https://t.co/WHgvdosChH

[kalyan chakrabarti @kschakrabarti]

How do proteins specifically recognize many different partners? Our recent paper in @NatureComms shows that the answer is conformational selection in case of ubiquitin binding SH3 domain. @smnlssn @kreauniversity @mpi_nat https://t.co/b10ujEV3Yo

[Roivant Discovery @RoivantDiscover]

We’re unraveling the relationship between binding and biological activity in induced proximity systems. Read about our pioneering research with advanced atomistic simulations, biophysics, and machine learning. https://t.co/WWimgKQ80w
#research #drugdiscovery #QUAISAR

[Alan Aspuru-Guzik @A_Aspuru_Guzik]

Incredible progress of @andrewwhite01 ‘s group on large language models for chemistry !

[Eric Topol @EricTopol]

An amazing 5★ story @foldingathome: over 1 million citizen scientists worked together to discover hidden antigen pockets of the #SARSCoV2, broke exascale, created the most powerful supercomputer on the planet
https://t.co/vy1gLeDzbj @NatureChemistry

[Greg Bowman @drGregBowman]

Come learn about #adaptivesampling, weighted ensembles, path sampling, and other powerful simulation algorithms! #compchem
https://t.co/4LjbMF3uYG

[Daniel Keedy @DanielKeedy]

Our new preprint on multitemperature crystallography of SARS-CoV-2 Mpro is out! https://t.co/rEsoHDMWjt @DrAliEbrahim & @blake_riley took a detailed look at how Mpro reacts to being cooled/heated. We hope this helps ongoing antiviral design efforts (e.g. by @covid_moonshot).

[Muneeb Sultan @mmsltn]

I couldn't find one for comp-chem so here is my attempt. Original from https://t.co/vc9LH3jGuB

[Folding@home @foldingathome]

We are excited to collaborate with @RedesignScience on open source tools to accelerate drug discovery & sharing what we've learned with scientists around the world! Check out cofounder @PneumaticDill's talk @NVIDIA GTC this week: https://t.co/v23iPsJhAY

https://t.co/pEcmMiEqEs

[Sunnyfield @hellosunnyfield]

I'm presenting at GTC 2021 this coming week on our work about using large scale molecular dynamics simulation for drug discovery, check it out for free here https://t.co/xPAc7bnEkK

[Folding@home @foldingathome]

🚨🚨#COVID19 PAPER ALERT🚨🚨
Our second peer-reviewed paper on #COVID19 is now online! This work studied the activation of the #SARSCoV2 NSP16 protein, and identified potentially targetable pockets for the design of antivirals!
Read it online here: https://t.co/N2cAPJq0Pt

[Frank Noe @FrankNoeBerlin]

Working towards computing kinetics for large biomolecules with independent Markov decomposition. @tmhmpl championed this work, big shoutout to the team Mauricio del Razo, @CTLeeRes @RommieAmaro @biobryn.

So happy to have a paper with you Rommie!

https://t.co/a050HAHaoA

[Vytas @VytasGapsys]

@martinwerner88's paper on alchemical mutation nonadditivity prediction just appeared online. Let me briefly summarize what we found out here. 1/8

https://t.co/wNqBuWI34r

[Tristan Bereau @tristanbereau]

Chemical transferability of conditional GAN models to backmap coarse-grained molecular structures is out! Together with @MStieffenhofer and Michael Wand in @AIP_Publishing
https://t.co/eUDQ8EOAVH

[Alex Dickson @dicksonlab]

Our study investigating changes in ACE2 upon SARS-CoV-2 spike protein binding is up on bioRxiv! Congrats to first author @arzUyar for this tour de force. https://t.co/LccwWv8RCX

[Frank Noe @FrankNoeBerlin]

15 PhD positions available on #MachineLearning for #drugdiscovery in EU grad school. Apply to project ESR15 to work with me at @FU_Berlin / Germany and Ola Engkvist @AstraZeneca / Sweden on deep learning for protein simulation.

https://t.co/rLz8nRhcc6

[Ivy Zhang @ivyzhang__]

Amidst all of the craziness of the new B.1.1.7 and B.1.351 variants, I am especially excited to
share that our work (using @foldingathome) on circulating SARS-CoV-2 N439K variants is now online at @CellCellPress!

[Greg Bowman @drGregBowman]

If you're a talented #developer with a passion for #gamification and making it easier than ever for more people to help drive #CitizenScience #research on global health threats (like #COVID19, #Alzheimers, and #Cancer), then please apply for the opening at @foldingathome! #Job

[Tristan Bereau @tristanbereau]

Wondering about using molecular dynamics to screen compounds? I review some recent work for biomolecules and soft materials @IOPscience. Covers contributions from machine learning and multiscale modeling https://t.co/l3AXn43OrZ

[Daniel Heller @Dan_A_Heller]

A work originally inspired by teaching grad students... Nanotechnologists should be inspired by the field of chemical biology, and vice versa: Nanochemical Biology! With former postdocs @rymarwil and Januka Budhathoki, and the Minkui Luo lab: https://t.co/2TaB7ApkG8