PMID- 8161683 OWN - NLM STAT- MEDLINE DCOM- 19940520 LR - 20190606 IS - 0006-3495 (Print) IS - 1542-0086 (Electronic) IS - 0006-3495 (Linking) VI - 66 IP - 2 Pt 1 DP - 1994 Feb TI - Analysis of protein binding to receptor-doped lipid monolayers by Monte Carlo simulation. PG - 305-9 AB - This paper presents a Monte Carlo simulation (MCS) method for estimating the parameters that characterize ligand-receptor binding directly from experimentally derived binding isotherms. Binding parameters are estimated by incorporating an MCS algorithm for ligand binding to a two-dimensional receptor array into a nonlinear regression program. The MCS method was tested by analyzing experimental isotherms of avidin binding to biotinylated lipid in Langmuir-Blodgett (LB) monolayers. The MCS-derived cooperativity coefficients and intrinsic association constants for avidin-biotin binding to LB films are correlated strongly (R2 > 0.93) with the binding parameters determined from the same experimental data by a thermodynamic equilibrium binding model (Zhao et al. 1993. Langmuir. 9:3166-3173). This result shows MCS to be an accurate and potentially more versatile method for characterizing biomolecular interactions at surfaces. FAU - Zhao, S AU - Zhao S AD - Department of Biomedical Engineering, Duke University, Durham, North Carolina 27708. FAU - Reichert, W M AU - Reichert WM LA - eng GR - HL 32132/HL/NHLBI NIH HHS/United States PT - Journal Article PT - Research Support, Non-U.S. Gov't PT - Research Support, U.S. Gov't, Non-P.H.S. PT - Research Support, U.S. Gov't, P.H.S. PL - United States TA - Biophys J JT - Biophysical journal JID - 0370626 RN - 0 (Lipids) RN - 0 (Phosphatidylethanolamines) RN - 0 (Receptors, Cell Surface) RN - 0 (fluorescein isothiocyante avidin) RN - 1405-69-2 (Avidin) RN - 3026-45-7 (1,2-dipalmitoyl-3-phosphatidylethanolamine) RN - I223NX31W9 (Fluorescein-5-isothiocyanate) SB - IM MH - Algorithms MH - Avidin/analogs & derivatives/chemistry/metabolism MH - Biophysical Phenomena MH - Biophysics MH - Fluorescein-5-isothiocyanate/analogs & derivatives/chemistry/metabolism MH - In Vitro Techniques MH - *Lipid Metabolism MH - Lipids/chemistry MH - Models, Biological MH - Monte Carlo Method MH - Phosphatidylethanolamines/chemistry/metabolism MH - Protein Binding MH - Receptors, Cell Surface/chemistry/*metabolism MH - Thermodynamics PMC - PMC1275696 EDAT- 1994/02/01 00:00 MHDA- 1994/02/01 00:01 PMCR- 1995/02/01 CRDT- 1994/02/01 00:00 PHST- 1994/02/01 00:00 [pubmed] PHST- 1994/02/01 00:01 [medline] PHST- 1994/02/01 00:00 [entrez] PHST- 1995/02/01 00:00 [pmc-release] AID - S0006-3495(94)80778-7 [pii] AID - 10.1016/s0006-3495(94)80778-7 [doi] PST - ppublish SO - Biophys J. 1994 Feb;66(2 Pt 1):305-9. doi: 10.1016/s0006-3495(94)80778-7.