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Correction to "BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations".

Germano HeinzelmannDavid J HugginsMichael K Gilson
Published in: Journal of chemical theory and computation (2024)
Keyphrases
  • low cost
  • density functional theory
  • molecular dynamics
  • deep learning
  • molecular dynamics simulations
  • machine learning
  • high throughput
  • monte carlo
  • dna binding
  • solid state