MD Parameterization of Metal Complexes & Nanoparticles Using CHARMM-GUI (Nanoinformatics Workflow)
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YouTubeDr. H Ismail
MD Parameterization of Metal Complexes & Nanoparticles Using CHARMM-GUI (Nanoinformatics Workflow)
Metal-containing systems such as metal complexes, nanoparticles, and metalloproteins require special attention during force field assignment and topology generation for accurate simulations. This video covers: Metal complex preparation in CHARMM-GUI Ligand topology and parameter generation Force field compatibility with AmberTools, GAFF ...
2.3K views3 months ago
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