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URL: https://www2.bri.nrc.ca/ccb/pub/sietraj_main.php
Proper Citation: sietraj (RRID:SCR_018021)
Description: Software tool for binding free energies from Amber-generated MD trajectories. Alternative to MM-PBSA software provided by AMBER distribution. Virtual alanine mutations are also possible. Solvated interaction energies are calculated using parameters that have been fitted to reproduce binding free energies of data set of 99 protein-ligand complexes.
Resource Type: software resource, software application, simulation software
Keywords: Binding free energy, Amber, MD trajctory, MM-PBSA, virtual alanine mutation, solvated interaction energy, calculation, parameter, protein-ligand complex
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