Protein dimerization in 2D vs 3D, Jhaveri et al, 2025. MD simulation inputs/outputs
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From the paper: Jhaveri, A. et al, Protein dimerization in 2D vs 3D: Geometric allostery enhances binding affinity J. Chem. Phys. 163, 000000 (2025); doi: 10.1063/5.0275282 This repository contains the MD simulation inputs to execute our 6 systems. It also contains short output files that do not exceed filesize restrictions. Please see README for annotation. Contact margaret.johnson@jhu.edu for access to all the data files used in the paper.
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2025-07-09
