These methods include computational chemistry based on quantum mechanics, force field models based on statistical mechanics, molecular dynamics and Monte Carlo simulation, and mesoscopic ...

This project will involve the use of the Gaussian 09 program to perform detailed electronic structure modelling of candidate systems to assess their efficacy and investigate the detailed mechanism of ...

This project aims to predict the technical performance of solid adsorbents using advanced molecular modelling and simulation. In this way, we can give feedback to chemists carrying out synthesis of ...

It is perfect for students who want to avoid lab work but stay in science. You will develop your mathematical modelling skills, there are no laboratory or animal-based components. Bioinformatics and ...

which allow the molecular rate to vary among lineages, albeit in a limited manner. There are currently two major types of relaxed-clock models. The first type assumes that the rate varies over ...

As the capabilities of generative AI models have grown, you've probably seen how they can transform simple text prompts into hyperrealistic images and even extended video clips.

Optibrium, a leading developer of software and AI solutions for molecular design today announced the introduction of a new PyMOL Graphical User Interface (GUI) for Surflex-Dock, its industry-leading ...

Chromatin, the mix of DNA and protein that houses each cell's genome, is more resilient to aging than previously thought, suggests a study published in the Journal of the American Chemical Society by ...

The way the body ages could be more resilient than previously thought, a new study suggests.

Alessio’s research interests are multiscale modelling and simulations of complex systems, molecular modelling of soft and solid-state matter via full-atom and coarse-grained molecular dynamics ...

The new porous material for capturing carbon dioxide, called a covalent organic framework (COF), has hexagonal channels decorated with polyamines that efficiently bind CO 2 molecules (blue and ...