Molecular geometry
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NeedleHaystack: Algorithm, Implementation,
Web-server for the fast superposition of molecular
3D-structures.
- Algorithm, C-Implementation, web-server for the fast algebraic computation of
water accessible surfaces of molecules and the surface connection graph.
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Software for the automatic generation of PDB derivates:
Protein complexes, Protein monomers, Protein chains, Protein interfaces,
Protein surfaces
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Algorithm, impelementation, web-interface of the
automatic computation of Total surface comparison images.
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Local structure similarity graphs: A tool to detect relation
between proteins. Automatic generation.
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User friendly (web-server-based) implementation of database (PDB
derivates) virtual screening.
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3DS: GNU-C programming library and main programs
for efficient computational geometry for molecular data.
- Moltools: Infrastructure for geometry-based drug-design and modeling.
© 2015 Andreas Hoppe