Molecular nanostructures can be activated using ultrasound

Researchers from Heinrich Heine University Düsseldorf (HHU) have taken an important step toward developing intelligent ...

Researchers use AI to evaluate a systematic framework to describe molecular order in liquid water

Water is the most abundant liquid on Earth's surface, and it is highly anomalous compared with other liquids because it ...
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.
Aalto University

Postdoctoral Researchers in AI-driven atomistic modeling and AI-accelerated cheminformatics

Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science (CMAT). The positions to be filled are part of a new project funded by Business ...
C&EN

Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis

Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States Vanderbilt ...
C&EN

A Fast, Convenient, Polarizable Electrostatic Model for Molecular Dynamics

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Article Views are the COUNTER-compliant sum of full text article downloads since ...