SaaS Metrics
AI-Driven Molecular Design
Molecular Dynamics
AI Synthesis & Market Narrative
Molecular dynamics modeling is advancing with tools like PlanarFold for RNA dynamics, while generative AI models are being successfully applied to discover potent antimicrobial peptides, signaling a shift towards AI-driven molecular design in drug discovery.
Correlated Linguistic Patterns
["diffusion modeling"
"generative AI model"
"antimicrobial peptides"
"PlanarFold"
"coarse-grained molecular dynamics model"
"RNA in two-dimensional space"]
Driving Media Context
Discovery of potent low-toxicity antimicrobial peptides through diffusion modeling
In this study, Markakis et al. use a generative AI model to design antimicrobial peptides that are both potent and safe. Their lead candidate, Arcinin, kills...
Zeolitic isolated protonic acid sites-mediated NH3 storage for robust NOx removal
Controlling nitrogen oxide emissions needs catalysts that work across harsh conditions. This study separates ammonia storage from reaction sites in oxide-zeo...
Tin perovskite transistors stabilized through volatile coordination
A volatile-assisted coordination strategy regulates surface defect chemistry and self-doping, thus stabilizing the stoichiometry of tin perovskite semiconduc...
Confined ionic order in atomic nanowires of rare-earth chlorides unveiled via symmetry-guided structural screening
Confined low-dimensional materials offer attractive properties, but their atomic structures are hard to resolve. Here, the authors develop a symmetry-guided ...
PlanarFold: a coarse-grained molecular dynamics model of RNA in two-dimensional space
Modelling the dynamics of RNA molecules can shed light on their function. Here, the authors present PlanarFold, a fast, coarse-grained model of RNA secondary...
Molecular neighbours reshape protein dynamics
As proteins are dynamic molecular machines, to fully understand their functions we need to understand how they move. Now, nuclear magnetic resonance spectros...
Generalized Suzuki-Chin Factorization in Bosonic Path Integral Molecular Dynamics
Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP01731B, Paper Open Access   This article is licensed under a Creative Commons Attribut...
Optical cooling by interfacial charge transfer in 2D heterostructures
Optical cooling in two-dimensional semiconductor heterostructures is demonstrated through phonon-assisted interfacial charge transfer, enabling cryogen-free ...
Dynamic Process of Evaporation of Ni-Ce Nitrate Precursor Droplet in Flame-Assisted Spray Pyrolysis by Molecular Dynamics Simulation
Nanoscale, 2026, Accepted ManuscriptDOI: 10.1039/D6NR00653A, PaperNaoya Minegishi, Tsuyoshi Nagasawa, Kosei Okada, Hidenori Kosaka, Takuya MabuchiTo achieve ...
Potent and biased agonists of class B1 GPCRs from a heterochiral design strategy
Many peptides that activate class B1 GPCRs, such as the glucagon receptor (GCGR) or the parathyroid hormone receptor-1 (PTH1R4), are α-helical in the active ...