wp1
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Description:
This template shows a four-step computational drug discovery pipeline: genome mining of DNA sequences, homology modeling of a protein structure from a template, molecular docking of a ligand into the modeled protein binding site, and molecular dynamic simulation to assess complex stability over time. Screenshots from modeling software illustrate each step with sequence alignments, docked poses, and RMSD plots.
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This template shows a four-step computational drug discovery pipeline: genome mining of DNA sequences, homology modeling of a protein structure from a template, molecular docking of a ligand into the modeled protein binding site, and molecular dynamic simulation to assess complex stability over time. Screenshots from modeling software illustrate each step with sequence alignments, docked poses, and RMSD plots.