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BFEER is an open-source GUI-based VMD Plugin for estimating free energy using popular endpoint methods like MMPBSA and LIE. It is designed to work with NAMD's DCD-PSF files.
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As an MSc student in Medicinal Chemistry at the Department of Chemistry, Savitribai Phule Pune University, I found BFEER to be a reliable and efficient platform for post-simulation analysis. The software provides a well-structured workflow for binding free energy calculations, including MM/PBSA analysis, which greatly simplifies the evaluation of protein–ligand interactions. By automating several analysis steps, it reduces manual effort and improves the reproducibility of results. The interface is intuitive, and the overall workflow is easy to follow, making it suitable for both new and experienced researchers in computational drug discovery. BFEER has been a valuable tool in my molecular modeling studies, and I highly recommend it for binding free energy analysis.
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I would like to express my deep thanks to Dr. Rohan, for this new software which is very easy to deal with and for his continuos help and support.
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User friendly, efficient to use for beginners..
