Exploring Tubulin-Paclitaxel Binding Modes through Extensive Molecular Dynamics Simulations
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Molecular dynamics trajectories and reference structures: 3j6g.zip 6ew0.zip 5syf.zip 5syf_restr.zip - the 5syf system with positional restraints topologies.zip - molecular dynamics topologies (including paclitaxel, GDP/GTP), starting conformations, and MD parameters (mdp files) clusters.zip - representative structures of identified clusters (centeral structure, structure with minimal energy, structure with the energy decomposition in the B-factor)
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Zenodo创建时间:
2024-06-24



