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Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.

Ivy ZhangDominic A RufaIván PulidoMichael M HenryLaura E RosenKevin HauserSukrit SinghJohn D Chodera
Published in: Journal of chemical theory and computation (2024)
Keyphrases
  • protein protein
  • small molecule
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • dna binding
  • binding protein
  • transcription factor