28 datasets found

Most proteins at the plasma membrane are not uniformly distributed but localize to dynamic domains of nanoscale dimensions. To investigate their functional relevance, there is a...

This repository contains all-atom molecular dynamics simulation data for four H3/CENP-A nucleosome systems, labeled by their PDB IDs: 1kx5, 3lz0, 6o1d, and 6o1e

For more information, such as installation, requirements and user guide, please see the demoa manual. The development of this package was supported by “Deutsche...

Scripts used in the experiments and analysis presented in the paper.

This repository contains 1) Source code to run CVF water simulations 2) Scripts to produce input files and run the simulations 3) The necessary data to reproduce the figures...

Cells sense and respond to mechanical forces through mechanotransduction, which regulates processes in health and disease. In single adhesive cells, mechanotransduction involves...

The data in this dataset represent simulations of supercooled water at the liquid-liquid critical point using the transferable molecular CVF model for water. The model is...

Structure-Based Model (SBM) simulations for the folding process of the FoxP1 protein using the SBMOpenMM library. Fifteen equilibrium replicas of 10 μs each were carried out at...