Integrated Database of Force-Field Parameters, Experimental Measurements and Molecular Dynamics Simulations
Pavel Banáš, Vojtěch Mlýnský, David Číž, Radek Furmanek, Nestor Pilat, Viktoria Maike Paula Pauw, Stephan Hachinger, Jiřı́ Šponer, Jan Martinovič, Michal Otyepka
The paper introduces IDA, a database for storing and integrating MD simulation data, force fields, and experimental measurements to enhance data reuse and FAIR compliance.
bioRxiv · Dec 3, 2024 · PreprintBioinformatics