eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

by Luigi Capoferri, Marc van Dijk, Ariën S. Rustenburg, Tsjerk A. Wassenaar, Derk P. Kooi, Eko A. Rifai, Nico P. E. Vermeulen, Daan P. Geerke
Published 2017-11-01