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

On track for predicted unwinding, about to shift into second gear for the market and biotechs in particular. Many up 200-2000% in past 16 months so a 50% retracement still leaves spectacular gains for some. Chaos factor increasing = market going lower IMO

My calculations and observations have coalesced to the conclusion that TODAY, June 15, 2026 will be the peak day for the stock market. Unwinding will follow soon.

If you think inflation is bad and you have been struggling, what do you think minting new $ trillionaires, billionaires and 10's of thousands of new millionaires out of thin air is going to do to your buying power and quality of life? Regular folks are now irrelavant.

With the very recent money flowing out of the availalbe pool into mid-size biotechs like $TNGX $NRIX $IDYA I expect many smaller biotechs under $200M market cap & under $5 to be cut in half by December. Just like the ongoing wealth transfer from middle class to the rich.

Even if some chip, A.I. and biotechs fall another 50%, many would still be up 100-500%. Lots of room below.

$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.

I performed a brief molecular dynamics simulation to explore a putative structure of the protein degrader PRT7732 @PreludeTx in partial complex with Cereblon and SMARCA2. Molecular modeling ensembles were created in part by LabPsycho’s Artificial Artificial Intelligence A.^2 I.

Can I bring Monte Rosa Therapeutics @MonteRosaTxrecent Cover Article in SCIENCE magazine to life? Use it as the basis for nanomining to accelerate drug discovery? See below and then see my post below that.

Nanomining Neosubstrates Using Molecular Dynamic Simulations and @MonteRosaTx MRT-3486. LabPsycho’s Artificial Artificial IntelligenceTM (A2.I.), VMD, Colab, Openmm, Alpha Fold, Python, SwissParam and simulated on Google Colab using NVIDIA T4 GPU DOI: 10.1126/science.adt6736

$TNGX My Molecular Dynamic Simulation of TNG462 bound to PRMT5·MTA Refs: J. Med. Chem. 2025, 68, 5, 5097–5119 @TangoTxOncology Molecular ensemble built in part using VMD, Colab, Openmm, Alpha Fold, Python, SwissParam & LabPsycho’s Artificial Artificial IntelligenceTM (A.^2 I.)

Shown below is my Molecular Dynamic Simulation of @TangoTxOncology TNG908 bound to PRMT5·MTA Refs: 1. DOI: 10.1021/acs.jmedchem.4c03067 2. Ensemble built in part using VMD, Colab, Openmm, Alpha Fold, Python, SwissParam and LabPsycho’s Artificial Artificial Intelligence (A2.I.)

Details of the "Molecular Dynamic Simulation of CFT8919 Molecular Glue in Complex with Cereblon and EGFR" are shown in this video. Methodology and references are in the description of the video. youtu.be/NZCPeihFmts?si=o0o4… via @YouTube @C4Therapeutics