Drug Desingning

Checks whether a drug satisfies the 5 Lipinski rules.

Predict DNA-Drug Interaction strength by Computing ΔTm and Affinity of binding(PreDDICTA)employs an all-atom energy based function for computing the binding affinity of a DNA oligomer with a non-covalently bound drug.

Binding Affinity Prediction of Protein-Ligand (BAPPL) server computes the binding free energy of a non-metallo protein-ligand complex using an all atom energy based empirical scoring function.