Automated Topology Builder (ATB)

Other names: atb

The Automated Topology Builder (ATB) and Repository is intended to facilitate the development of molecular force fields for Molecular Dynamics or Monte Carlo simulations of biomolecular systems. Applications include the study of biomolecule:ligand complexes, free energy calculations, structure-based drug design and refinement of x-ray crystal complexes.

Webpage:
http://atb.uq.edu.au/

Publications:

Tags:

small molecule nmr molecular dynamics x-ray diffraction lipids

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