Biased Brownian Dynamics for Rate Constant Calculation
نویسندگان
چکیده
منابع مشابه
Robust biased Brownian dynamics for rate constant calculation.
A reaction probability is required to calculate the rate constant of a diffusion-dominated reaction. Due to the complicated geometry and potentially high dimension of the reaction probability problem, it is usually solved by a Brownian dynamics simulation, also known as a random walk or path integral method, instead of solving the equivalent partial differential equation by a discretization met...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2000
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(00)76322-3