Freely available supporting information used in the production of MD trajectories of protein-excipient interaction, and the analysis thereof. This repository contains template scripts used in the generation and analysis of molecular dynamics trajectories. Specifically, they have been used in a study investigating the interaction between human serum albumin and various formulation excipients. It contains bash scripts for use with Gromacs, as well as R code to extract and present useful information.
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Freely available supporting information used in the production of MD trajectories of protein-excipient interaction, and the analysis thereof.
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TobyEdwardKing/Excipient-Optimisation
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Freely available supporting information used in the production of MD trajectories of protein-excipient interaction, and the analysis thereof.
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