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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: simulation software, software application, software resource
Keywords: Binding free energy, Amber, MD trajctory, MM-PBSA, virtual alanine mutation, solvated interaction energy, calculation, parameter, protein-ligand complex
Availability: Restricted
Resource Name: sietraj
Resource ID: SCR_018021
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Source: SciCrunch Registry (RRID:SCR_005400)
Description: Interactive portal for finding and submitting biomedical resources. Resources within SciCrunch have assigned RRIDs which are used to cite resources in scientific manuscripts. SciCrunch Registry, formerly NIF Registry, provides resources catalog. Allows to add new resources. Allows edit existing resources after registration. Curators are tasked with identifying and registering resources, examining data, writing configuration files to index and display data and keeping contents current.
URL: https://rrid.site/rin/sources/SCR_005400
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