Search Results for "bonding"

This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...

araMultiOmics consisted of seven modules where each module was created based on existing databases and software for studying protein binding sites/open chromatin regions, DNA-TF bonding profile, etc

...The SnowMicroPen® (SMP) is developed by the WSL Institute for Snow and Avalanche Research, Davos. The SMP is the first high-resolution snow penetrometer. It is capable of measuring the bonding force between snow grains, with both high spatial resolution and high speed. The SMP can be used in different application areas as snow profiling (avalanche forecasting, snow stratigraphy, remote sensing ground truth), ski track characterization (ski racing) or snow runway characterization (stability testing).

Analysis of HYDROgen BONding NETworks in protein crystal structures.

The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)