The linear interaction energy (LIE) method to compute binding free energies is applied to lectin-monosaccharide complexes. Here, we calculate the binding free energies of monosaccharides to the Ral ...
['Sushil Kumar Mishra', 'Johan Sund', 'Johan Åqvist', 'Jaroslav Koča']
Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy models