The SIRAH-CoV-2 Initiative: A Coarse-Grained Simulations' Dataset of the SARS-CoV-2 Proteome

This publication has 34 references indexed in Scilit:

• SIRAH tools: mapping, backmapping and visualization of coarse-grained models
  Bioinformatics, 2016
• An overview of the Amber biomolecular simulation package
  WIREs Computational Molecular Science, 2012
• Another Coarse Grain Model for Aqueous Solvation: WAT FOUR?
  Journal of Chemical Theory and Computation, 2010
• Molecular dynamics simulation of confined fluids in isosurface-isothermal-isobaric ensemble
  The Journal of Chemical Physics, 2008
• PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations
  Nucleic Acids Research, 2004
• Self-guided Langevin dynamics simulation method
  Chemical Physics Letters, 2003
• VMD: Visual molecular dynamics
  Journal of Molecular Graphics, 1996
• A smooth particle mesh Ewald method
  The Journal of Chemical Physics, 1995
• Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
  The Journal of Chemical Physics, 1993
• Molecular dynamics with coupling to an external bath
  The Journal of Chemical Physics, 1984