An approach combining molecular dynamics (MD) simulations and laboratory experiments was applied to provide new theoretical insights into the chemical structure of polyamide (PA) thin-film composite (
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
PDB: 1OAY, Crystal structure of antibody SPE7, a monoclonal immunoglobulin E (IgE) raised against a 2,4-dinitrophenyl (DNP) hapten (313K, 40°C, 100 ns). Includes PDB files obtained every 50 ns.
