Designed, Programmed, & Maintained by Balaji S Rao
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QM/MM for Biomolecules Training | Partitioning, Embedding, Engines, Reaction Paths & Free-Energy Profiles
Build and run hybrid QM/MM studies: region partitioning, link atoms/capping, embeddings, setup with ORCA/Gaussian/CP2K + AMBER/CHARMM/OpenMM, reaction-path scans (NEB/string), and free-energy profiles with reproducible reports.
NTHRYS >> Services >> Academic Services >> Training Programs >> Bioinformatics Training >> Proteomics, Structural Bioinformatics, Molecular Modeling
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