Molecular Discovery Ltd.

Rated 4.50(2) — Molecular Discovery Ltd.

Accurate pKa prediction and automatic structure modification is critical for many computational chemistry methods which are strongly dependent on the tautomerization and protonation state of the structures, including docking, binding affinity estimation..

Rated 4.22(9) — Molecular Discovery Ltd.

Accurate pKa prediction and automatic structure modification is critical for many computational chemistry methods which are strongly dependent on the tautomerization and protonation state of the structures, including docking, binding affinity estimation..

Rated 0.00(0) — Molecular Discovery Ltd.

MetaSite is a computational procedure that predicts metabolic transformations related to cytochrome and flavin-containing monooxygenase mediated reactions in phase I metabolism. The MetaSite algorithm is unique in being the only software that is not...