Ligand binding affinity prediction by linear interaction energy methods. - Tomas Hansson; John Marelius; Johan Åqvist (J. Comput. Aided Mol. Des., 1998)

Computation of affinity and selectivity: Binding of 2, 4-diaminopteridine and 2, 4-diaminoquinazoline inhibitors to dihydrofolate reductases. - John Marelius; Malin Graffner-Nordberg; Tomas Hansson; Anders Hallberg; Johan Åqvist (J. Comput. Aided Mol. Des., 1998)

Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method. - Eva Stjernschantz; John Marelius; Carmen Medina; Micael Jacobsson; Nico P. E. Vermeulen; Chris Oostenbrink (J. Chem. Inf. Model., 2006)