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

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 ...

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 ...

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.

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 ...

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 ...

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 ...

Insilico Medicine (“Insilico”) announces that the team, with the support of its generative chemistry engine, has developed a ...

At approximately three million daltons, a unit of mass for atomic-scale objects like atoms, the team believe these chromatin models with ... of Chromatin toward Molecular Aging, Journal of the ...