Biased Brownian Dynamics for Rate Constant Calculation

Article, Other literature type English OPEN
Zou, G; Skeel, R D; Subramaniam, S;

An enhanced sampling method-biased Brownian dynamics-is developed for the calculation of diffusion-limited biomolecular association reaction rates with high energy or entropy barriers. Biased Brownian dynamics introduces a biasing force in addition to the electrostatic ... View more
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