MDAnalysis is a Python library to analyze molecular dynamics simulations.

Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.

UC Riverside scientists have developed a nanopore-based tool that could help diagnose illnesses much faster and with greater ...

Researchers at Rice University have made a breakthrough in simulating molecular electron transfer, a key process in many physical, chemical, and biological systems. The study describes how they used a ...

Impact and progress Frontiers' impact Progress Report 2022 All progress reports ...

Scientists have leveraged fundamental features of chemical building blocks to transform ... cancer therapeutics, molecular glues and many more types of molecules. "We've not only transformed ...

Once confined to the province of abstract theory, quantum computing seeks to use operations based on quantum mechanics to ...

Molecular Biology is the field of biology that studies the composition, structure and interactions of cellular molecules such as nucleic acids and proteins that carry out the biological ...

Dec. 20, 2024 — Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, ... First Demonstration of ...

This important theoretical study examines the possibility of encoding genomic information in a collective of short overlapping strands (e.g., the Virtual Circular Genome (VCG) model). The study ...

UB engineer Kaihang Shi specializes in using artificial intelligence, molecular simulation and other approaches to create nanomaterials for energy and sustainability applications. He recently received ...