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

Bayesian analysis of isothermal titration calorimetry for binding thermodynamics.

by Trung Hai Nguyen, Ariën S Rustenburg, Stefan G Krimmer, Hexi Zhang, John D Clark, Paul A Novick, Kim Branson, Vijay S Pande, John D Chodera, David D L Minh
Published 2018-01-01