AIMD-Chig is an MD dataset including 2 million conformations of 166-atom protein Chignolin sampled at the density functional theory (DFT) level with 7,763,146 CPU hours. 10,000 conformations were init
Dataset of the BEMD data used in the paper "The influence of the choice of force field on the conformational landscape of monomeric rat and human islet amyloid polypeptide"
We analyzed 143 E. coli ribosomal structures, mapping a total of 10,771 intramolecular distances for 126 cross-link-pairs and 3,405 intermolecular distances for 97 protein pairs. Our study might serve
Relevant raw data of the article named "Non-thermal Shearing Effect on Protein Conformation of Gluten Base for Plant-based Anisotropic Structures". The reader is referred to the "MAterial and Methods"
