Biology – Quantitative Biology – Quantitative Methods
Scientific paper
2008-12-25
Biology
Quantitative Biology
Quantitative Methods
18 pages, 6 figures
Scientific paper
The system-level dynamics of multivalent biomolecular interactions can be simulated using a rule-based kinetic Monte Carlo method in which a rejection sampling strategy is used to generate reaction events. This method becomes inefficient when simulating aggregation processes with large biomolecular complexes. Here, we present a rejection-free method for determining the kinetics of multivalent biomolecular interactions, and we apply the method to simulate simple models for ligand-receptor interactions. Simulation results show that performance of the rejection-free method is equal to or better than that of the rejection method over wide parameter ranges, and the rejection-free method is more efficient for simulating systems in which aggregation is extensive. The rejection-free method reported here should be useful for simulating a variety of systems in which multisite molecular interactions yield large molecular aggregates.
Hlavacek William S.
Yang Jin
No associations
LandOfFree
Rejection-free kinetic Monte Carlo simulation of multivalent biomolecular interactions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Rejection-free kinetic Monte Carlo simulation of multivalent biomolecular interactions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Rejection-free kinetic Monte Carlo simulation of multivalent biomolecular interactions will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-436959