Direct mixing of atomistic solutes and coarse-grained water (2014)
Journal Article
Orsi, M., Ding, W., & Palaiokostas, M. (2014). Direct mixing of atomistic solutes and coarse-grained water. Journal of Chemical Theory and Computation, 10(10), 4684-4693. https://doi.org/10.1021/ct500065k

© 2014 American Chemical Society. We present a new dual-resolution approach for coupling atomistic and coarse-grained models in molecular dynamics simulations of hydrated systems. In particular, a coarse-grained point dipolar water model is used to s... Read More about Direct mixing of atomistic solutes and coarse-grained water.