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

Luigi Capoferri, Marc van Dijk, Ariƫn S. Rustenburg, Tsjerk A. Wassenaar, Derk P. Kooi, Eko A. Rifai, Nico P. E. Vermeulen, Daan P. Geerke. eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations. J. Cheminformatics, 9(1), 2017. [doi]

Abstract

Abstract is missing.