Cesar_Mendoza_Martinez

Drug designer

[Cesar_Mendoza_Martinez @CesarMendozaM1]

https://t.co/y3bwzNq5BQ

[Cesar_Mendoza_Martinez @CesarMendozaM1]

We are delighted to share our latest collaboration with David Horn's lab now available in Nature Communications. https://t.co/AVuyrAV6MM. Decoding efficacy and resistance space at a drug binding site.

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@elonmusk The tunnel effect. Basic QM theory

[Cesar_Mendoza_Martinez @CesarMendozaM1]

If you're interested in free energy calculations or have research you want to share, please, join us at the Alchemistry Workshop in Boston 2025 ⚗️. We're committed to delivering an unforgettable experience. Hope to see you there!!! #Alchemistry2025 #Freeenergy #drugdiscovery 💊

[Free Energy Workshop 2025 @FEWorkshop]

Save the Date: https://t.co/b7xxTKI9ci

We are happy to announce the dates for the Free Energy Workshop 2025!

Please fill out the above form to register your interest and you will receive all updates concerning registration and abstract submission!

#Alchemistry2025

[Free Energy Workshop 2025 @FEWorkshop]

Save the Date: https://t.co/b7xxTKI9ci

We are happy to announce the dates for the Free Energy Workshop 2025!

Please fill out the above form to register your interest and you will receive all updates concerning registration and abstract submission!

#Alchemistry2025

[Mohammed AlQuraishi @MoAlQuraishi]

Introducing Genie 2, our latest protein design model! Genie 2 sets a new state of the art on key design metrics and supports motif scaffolding, including that of multiple motifs with undefined geometric relationships, a feature new to protein diffusion models. (1/5)

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@wpwalters Very interesting blog. Would be really great if could have a look on Ai models to predict binding poses. Similar issues appear. Most of them are now difussion models.

[Patrick Walters @wpwalters]

New Practical Cheminformatics Post, "Generative Molecular Design Isn't As Easy As People Make It Look", https://t.co/alCGUvsCDO

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@MajdeckiMaciek Is that real? It is like a mix of jupyter and uranus

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@bhakatsoumendr1 Looking forward to it . I really think we need to know what are the limits in the drug discovery domain, which might be different than in Protein design for instance.

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@bhakatsoumendr1 Where this figure comes from? Is that from a paper?

[Cole Group @ColeGroupNCL]

Very cool to see how @openforcefield tools, and #BespokeFit by @joshhorton93 @ChemistryNCL are being used in the drug discovery process! Try it out yourself here: https://t.co/SsWc95MSf6

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@ColeGroupNCL @openforcefield @joshhorton93 @ChemistryNCL very well said @ColeGroupNCL

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@jankosinski I did not see this option before. WHy? dont know. Yes that seems to give different solutions that is needed toc check independently

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@jankosinski Whta do you mean with different seeds. Is that different repeats?

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@MajdeckiMaciek beautiful!!!

[Nature Methods @naturemethods]

OpenFold developed by @gahdritz, @NazimBouatta, and @MoAlQuraishi is a trainable, open-source implementation of AlphaFold2. It is fast and memory efficient, and the code and training data are available under a permissive license.
https://t.co/CA00zft3O6

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@naturemethods @gahdritz @NazimBouatta @MoAlQuraishi Proud of the team making avalaible a free code and transparency in the results.

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@Blendenfleck oh, thats dissapointting not to met you here. I'll pass by your poster!!

[Cesar_Mendoza_Martinez @CesarMendozaM1]

@Blendenfleck Nice weather there, here is quite cold still!!