Results for “dynamic-scanning”

Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).

Run standard single-cell RNA-seq analysis pipelines: QC, normalization, dimensionality reduction, clustering, differential expression, and visualization using Scanpy.