Identify conserved hydration sites around RNA/protein from Amber MD trajectories using CPPTRAJ grid density + Python water-site analysis.
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Jun 20, 2026 - Python
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cpptraj
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CPPTRAJ (AMBER) files to analyze the different properties from 3 replica MD trajectories of hAGO2-siRNA complex (J. Chem. Inf. Model. 2026, 66, 5446-5462)
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Jul 25, 2026 - Python
Calculates change of H bond frequency (stability), average angle and average distance from cpptraj hbond output files and creates a sortable, color coded excel table. The Alignkeys submodule was created by excelforum user shg.
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May 22, 2024
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