reptile 发表于 2025-3-30 08:34:25
Parameterization of Large Ligands for Gromacs Molecular Dynamics Simulation with LigParGen and topologies for all components involved is critical. While parameters for proteins are well established, those for the wide range of ligands and substrates are not. Here we introduce a very useful service which is designed for small organic molecules. We describe a protocol to extend this tool tVolatile-Oils 发表于 2025-3-30 14:49:13
Minimizing Heterogeneity of Protein Samples for Metal Transporter Proteins Using SAXS and Metal Radiotocol in reference to a class of proteins known as metal binding (transporter) proteins or ion channels is discussed using applications of SAXS and metal radioisotopes. With requisite modifications, the protocol can be adapted to other classes of proteins.Acumen 发表于 2025-3-30 17:53:28
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