Parmbsc1: a refined force field for DNA simulations
Abstract We present parmbsc1, a force field for DNA atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for
[...]
Publications
Below is a list of related publications by the partners of the BioExcel consortium. We strive to publish as Open Access, or to provide green open access preprints where gold open access is not possible. Please let us know if you are unable to access any of our publications.
BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data
Abstract Molecular dynamics simulation (MD) is, just behind genomics, the bioinformatics tool that generates the largest amounts of data, and that is using
[...]
Molecular dynamics characterization of the conformational landscape of small peptides: A series of hands-on collaborative practical sessions for undergraduate students
Abstract Molecular modelling and simulations are nowadays an integral part of research in areas ranging from physics to chemistry to structural biology, as
[...]