Metadyn View

An interactive web viewer of metadynamics results.

TRITON

In silico construction of protein mutants, modelling enzymatic reactions, analysis of essential interactions between the enzyme and its substrate and docking ligand molecules into protein receptors.

ABEEM Solver

Calculates partial atomic charges for small organic molecules, drug-like molecules.

NEEMP

Main function is to perform EEM parameterization. Can be used to efficiently compute EEM charges, validate them against QM ones and to compute the parameter coverage.

AtomicChargeCalculator

A web application for the calculation and analysis of atomic charges in both large biomolecular complexes and small drug-like molecules.

BEGDB

Database collects results of highly accurate QM calculations of molecular structures, energies and properties.

MolMeDB

MolMeDB is an open chemistry database about interactions of molecules with membranes.