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Free Energy Landscape

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How to Build a Free Energy Landscape from a GROMACS MD Trajectory

26

Jul

Turn a GROMACS trajectory into a 2D free energy landscape with gmx sham and PCA. Start mapping your protein’s conformational basins in kJ/mol today.

Posted in: Molecular Modeling ,

Tags: Free Energy Landscape , gmx sham , GROMACS , Molecular Dynamics , Principal Component Analysis , Trajectory Analysis ,

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STEM Skills Lab is a team of scientific experts from diverse backgrounds who have more than a decade of experience in Sequence Bioinformatics, Structural Bioinformatics, Drug Discovery and Designing, Multiscale Modeling of Bio (Chemical) processes, and Modeling of High energy Materials using advanced computational techniques.