LabPsycho

Molecular Dynamic Simulation of a Complex of KRAS G12D, Z1084 +/- Cyclophilin A with brief comparisons to MRTX-1133 and RMC-6236 youtube.com/watch?v=7K69pv8g… Putative Z1084 Structure from GenFleet patent WO2024061370A1 @VerastemOncology

Animated gif I created to summarize the workflow I used to deduce the 3D structure of Z1084 from the GenFleet patent / create 3D molecular ensembles with KRAS to explore for potential binding sites using molecular dynamic simulations. @VerastemOncolog

Molecular Dynamic Simulation of a Complex of KRAS G12D, Z1084 +/- Cyclophilin A youtube.com/watch?v=7K69pv8g… @VerastemOncolog

$MAIA A glimpse into a speculative AI-designed world, based in part on my ideas and images in the posts below, where a PD-L1:6-Thio-2′-deoxyguanosine antibody–drug conjugate is activated in situ by light—imagining a future of higher precision, greater efficacy, fewer side effects

$MAIA Animated gif (Part 1): Hypothetical PD-L1:6-Thio-2'deoxy-guanosine Antibody Drug Conjugate created by photoactivation. See below post for more details

$MAIA Animated gif: Hypothetical PD-L1:6-Thio-2'deoxy-guanosine Antibody Drug Conjugate created by photoactivation. Perhaps some Visionaries at @MAIABiotech, @Roche or @Regeneron will "See the Light!" Could possibly be done by Concurrent Infusion. Increasing efficacy?

Molecular Dynamic Simulation of 2'-Deoxy-6-Thioguanosine Phosphate Telom... youtu.be/hwWPuwrDQQA?si=Wo6t… via @YouTube

I created for a brief molecular dynamic simulation of 2'-deoxy-6-thioguanosine @MAIABiotechnear in the active site of telomerase in complex with DNA. Refs embedded in animated gif if viewers want to follow up.

Possibly the World's First public molecular dynamic simulation of a JAK2V617F Mutant Specific Allosteric Inhibitor @PreludeTx . Shown is a representative JH2i ligand migrating towards the deep pocket of mutated V617F form the enzyme, potentially exerting its inhibitory effect.

$PRLD looking very good.