DROIDS

DROIDS (Detecting Relative Outlier Impacts in Dynamic Simulations) is a software tool to identify the impact of outliers in molecular dynamics simulation data.

Topic

Protein structure analysis;Molecular dynamics

Detail

  • Operation: Molecular dynamics;Protein function prediction

  • Software interface: Graphical user interface

  • Language: Perl;Python

  • License: GNU General Public License v3

  • Cost: Free

  • Version name: 3.8.5

  • Credit: College of Science at the Rochester Institute of Technology, Nvidia Corporation for the donation of GPU hardware.

  • Input: -

  • Output: -

  • Contact: Gregory A. Babbitt gabsbi@rit.edu

  • Collection: -

  • Maturity: Stable

Publications

  • DROIDS 1.20: A GUI-Based Pipeline for GPU-Accelerated Comparative Protein Dynamics.
  • Babbitt GA, Mortensen JS, Coppola EE, Adams LE, Liao JK. DROIDS 1.20: A GUI-Based Pipeline for GPU-Accelerated Comparative Protein Dynamics. Biophys J. 2018 Mar 13;114(5):1009-1017. doi: 10.1016/j.bpj.2018.01.020. PMID: 29539389; PMCID: PMC5883555.
  • https://doi.org/10.1016/j.bpj.2018.01.020
  • PMID: 29539389
  • PMC: PMC5883555
  • DROIDS 3.0-Detecting Genetic and Drug Class Variant Impact on Conserved Protein Binding Dynamics
  • Babbitt GA, Fokoue EP, Evans JR, Diller KI, Adams LE. DROIDS 3.0-Detecting Genetic and Drug Class Variant Impact on Conserved Protein Binding Dynamics. Biophys J. 2020 Feb 4;118(3):541-551. doi: 10.1016/j.bpj.2019.12.008. Epub 2019 Dec 18. PMID: 31928763; PMCID: PMC7002913.
  • https://doi.org/10.1016/j.bpj.2019.12.008
  • PMID: 31928763
  • PMC: PMC7002913

Download and documentation

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