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pymol

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JED is a program for performing Essential Dynamics of protein trajectories written in Java. JED is a powerful tool for examining the dynamics of proteins from trajectories derived from MD or Geometric simulations. Currently, there are two types of PCA: distance-pair and Cartesian, and three models: COV, CORR, and PCORR.

  • Updated May 18, 2018
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This repository provides a comprehensive module on structural biology and drug discovery, covering protein structure, docking, and drug design. It runs on Google Cloud Platform using Jupyter notebooks and includes tools like PyMOL and AutoDock.

  • Updated Aug 21, 2025
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