Linear interaction energy

{
  "id": "MLC-T-CHM-006624",
  "term": "Linear interaction energy",
  "field": "Chemistry",
  "definition": "A computational method used in drug design to estimate the binding affinity of a ligand to a receptor. It calculates the interaction energy as a linear combination of the electrostatic and van der Waals interaction energies between the ligand and its surroundings in both the bound and unbound states. This approach often employs molecular dynamics simulations to sample different conformations and average the interaction energies.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "force field"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 249 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/linear-interaction-energy/"
}