Diffusion-induced competitive two-site binding
نویسندگان
چکیده
منابع مشابه
Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation effects, leading to difficulties with rigorous ranking of fragment affinities. To overcome these li...
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Competitive binding of abasic site-binding ligands and masking ligands to DNA duplexes for the analysis of single-base mutation.
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The focus of this paper is a convergence study of the frequency sensitive competitive learning (FSCL) algorithm. We approximate the final phase of FSCL learning by a diffusion process described by the Fokker-Plank equation. Sufficient and necessary conditions are presented for the convergence of the diffusion process to a local equilibrium. The analysis parallels that by Ritter-Schulten (1988) ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5079748