The binding of a series of hydroxamate inhibitors with gelatinase-A is examined to evaluate the viability of calculating free energies of binding, ΔGb, utilizing molecular dynamics (MD) simulations wi
Classical molecular dynamics is a computer simulation technique that is in widespread use across many areas of science, from physics and chemistry to materials, biology, and medicine. The method conti
Additional file 4 Known aptamers binding to three proteins. An aptamer binding to NFATC1, two aptamers binding to NFKB1, and two aptamers binding to MBNL1.
