We provide here computational data corresponding to the manuscript "The chemical nature of the interaction of natural ligands with G-quadruplexes": 1_tleap: Topology and initial coordinate files fo
Entropy-driven demixing transitions play an important role in a variety of phenomena in solution chemistry, in mixtures of ionic liquids, in polymers, and in biosystems. A simple coarse-grained model
Molecular simulations play a pivotal role in chemistry, biology, and material sciences, enabling thestudy of complex dynamic properties within systems. Coarse-grained (CG) techniques have emergedas in
