John Marelius

According to our database, John Marelius authored at least 3 papers between 1998 and 2006.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2006

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

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

Ligand binding affinity prediction by linear interaction energy methods.

Tomas Hansson, John Marelius, Johan Åqvist

J. Comput. Aided Mol. Des., 1998