Dimer dice vs OrgoQuest

DimerDice allows visualizing different supramolecular dimeric complexes of cyclic peptides in Augmented Reality (AR). The cyclic peptides (CPs) are composed by γ-amino acids (cis-α,γ-aminocycloalkanecarboxylic acids, γ-Acas) alternated with α-amino acids (α,γ-CPs). These peptides containing γ-Acas can be designed from the original D,L-α-CPs just by replacing any α-amino acid for a γ-Aca of equivalent chirality. For instance, L-amino acids can be replaced by (1R,3S)-isomers while the (1S,3R)-Acas would substitute the D-enantiomers. As part of an in-vitro/in-silico study carried out at Santiago de Compostela University to deeply analyze the preferred rearrangement adopted by α,γ-CPs, we explored all the possible combinations that could take place starting from two different monomers and their corresponding enantiomers.[1] This approach uses the selective N-methylation of the amide groups whose protons are not involved in hydrogen bonding interactions. The N-methylated residues are indicated in the figures of the trackers. Depending on the combination of monomers, a parallel or an antiparallel arrangement is possible. Pointing with the device to each tracker separately, an AR image of the corresponding monomer is viewed. When the tracker images of two monomers are placed close to each other, the structure of the dimer formed by that combination of cyclic peptides is shown. Full geometry optimizations of the dimers and monomers were carried out with the B3LYP functional and the standard 6-31G(d) basis set. All of the DFT calculations reported in this study were performed with the Gaussian 16 package. This application was specifically developed by Santiago de Compostela University (Spain) and MD.USE Innovative Solutions S.L. (www.mduse.com). [1] Manuscript in preparation.

OrgoQuest is the ultimate gamified app for mastering organic chemistry. Built by chemists for students, it turns complex concepts into fun, interactive challenges that stick. FEATURED MODES: • Mechanism Theater — Watch, fix, then drive detailed 3D mechanisms with real-time electron pushing and hydride shifts • Arrow Attack — Master arrow-pushing in E1/E2, SN1/SN2, and more • Reagent Rush — Timed reagent selection for oxidations, reductions, and epoxide openings • Product Predictor — Choose the major product with regio- and stereochemistry • FG Blitz — Lightning-fast functional group identification • Retro Road — Build multi-step synthesis routes (Williamson ether, etc.) • Spectra Sleuth — Solve IR, 13C NMR, MS, and clue-card puzzles • Name It — Perfect your IUPAC nomenclature Track progress with XP, levels, and a personal reagent sheet. Built-in hints and step-by-step explanations help you learn why reactions work. Perfect for: • University organic chemistry students • Pre-med, pre-dent, and MCAT prep • Anyone who wants to finally "get" mechanisms and spectroscopy No ads. No login required. Offline play. Accurate to standard curricula (alcohols, epoxides, carbonyls, aromatics, and beyond). Download OrgoQuest and turn orgo from nightmare to quest!