Transient pockets as mediators of gas molecules routes inside proteins: The case study of dioxygen pathway in homogentisate 1,2-dioxygenase and its implication in Alkaptonuria development

Author:

Bernini Andrea,Galderisi Silvia,Spiga Ottavia,Amarabom Chukwudi Onyekachi,Santucci Annalisa

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference34 articles.

1. Homogentisate 1,2-dioxygenase (HGD) gene variants, their analysis and genotype–phenotype correlations in the largest cohort of patients with AKU;Ascher;Eur. J. Hum. Genet.,2019

2. The protein data bank;Berman;Nucleic Acids Res.,2000

3. Homogentisate 1,2 dioxygenase is expressed in brain: implications in alkaptonuria;Bernardini;J. Inherit. Metab. Dis.,2015

4. Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies;Bernini;Biochim. Biophys. Acta,2014

5. Toward a generalized computational workflow for exploiting transient pockets as new targets for small molecule stabilizers: application to the homogentisate 1,2-dioxygenase mutants at the base of rare disease Alkaptonuria;Bernini;Comput. Biol.,2017

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