A natural compound steps into the estrogen arena

Uterine fibroids and endometriosis are two of the most common gynecologic diseases, affecting 15% to 80% of women of ...
C&EN

Astronomers detect sugar in interstellar space for the first time

The discovery of erythrulose suggests that complex sugars can form on icy dust grains long before planets emerge ...
EdSurge

I Built the Chemistry Platform I Needed in My Own Classroom

Chemistry is a subject built on relationships. Atoms connect, electrons move, bonds form, molecules bend, acids and bases ...
The Scientist

High Schooler Tackles Computational Drug Discovery

Pavan Subramani started doing molecular dynamics simulations for computational drug discovery alongside his high school coursework, sparking an interest in a STEM career.
Phys.org

Astrochemical model digs into the universe's missing sulfur

Sulfur is one of the most abundant elements in the universe. If you peer into a diffuse interstellar cloud, you find loads of it—about the amount expected based on fusion patterns in the stars it was ...
PNAS

Predictive free energy simulations through hierarchical distillation of quantum Hamiltonians

This work was primarily supported by the US Department of Energy, Office of Science, Basic Energy Sciences, through Award No. DE-SC0023318. G.K.-L.C. acknowledges additional support in the ...
eLife

MDverse, shedding light on the dark matter of molecular dynamics simulations

The study presents a valuable tool for searching molecular dynamics simulation data, making such datasets accessible for open science. The authors provide convincing evidence that it is possible to ...
IEEE

Feedback Control in Molecular Dynamics Simulations using LAMMPS

Abstract: LAMMPS, an acronym for Large-scale Atomic and Molecular Massively Parallel Simulator, is a widely used open-source tool for high-fidelity molecular dynamics (MD) simulations. In this paper, ...