Tantillo Group

Construction of Potential Energy Surfaces for Reactions With Post‐Transition State Bifurcations Using Principal Component Analysis A method for constructing potential energy surfaces (PESs) for reactions with post-transition state bifurcations based on principal component analysis (PCA) is described and its utility is illustrate...

Construction of Potential Energy Surfaces for Reactions With Post-Transition State Bifurcations Using Principal Component Analysis

doi.org/10.1002/jcc....

20.02.2026 20:17 — 👍 3    🔁 0    💬 0    📌 0

On the Discorhabdins Leading to the Aleutianamine Ring System: A One‐Step in Situ Transformation Characterized Through Computational and Experimental Studies and Its Implications on Biosynthesis, Synthesis, and Pharmacology The thiocarbenium ion rearrangement of 3-dihydrodisorhabdin B greatly increases the recovery of aleutianamine from Latrunculia spp., a pyrroloiminoquinone natural product with potent activity against...

On the Discorhabdins Leading to the Aleutianamine Ring System: A One-Step in Situ Transformation Characterized Through Computational and Experimental Studies and Its Implications on Biosynthesis, Synthesis, and Pharmacology

doi.org/10.1002/anie...

20.02.2026 20:16 — 👍 3    🔁 0    💬 0    📌 0