Ligand-based virtual screening
is carried out with commercial state-of-the-art software. The searches are made against our in-house library of available compounds, more than 3 million and more than 10 million virtual compounds. Please inquire for further information.
Structure-based virtual screening
is carried out mainly with commercial software. We also use some public domain software and modifications thereof for docking and post-docking scoring.
Other services:
Conformational analysis. We can provide conformational analysis especially for carbohydrates using in-house software based on a genetic algorithm.
Computational lead optimization. Through in-house development we have software that allows computational lead optimization.
Solubility predictions. We can provide water solubility predictions using various methods.
