Login / Signup

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.

Juan Pablo ArconLucas A DefelipeCarlos P ModenuttiElias D LopezDaniel Alvarez GarciaXavier BarrilAdrián G TurjanskiMarcelo A Marti
Published in: Journal of chemical information and modeling (2018)
Keyphrases
  • molecular dynamics
  • density functional theory
  • binding protein
  • protein protein
  • ionic liquid
  • high resolution
  • amino acid
  • dna binding
  • mass spectrometry
  • transcription factor
  • molecular dynamics simulations