Concepedia

Dynamic Basis for Auranofin Drug Recognition by Thiol-Reductases of Human Pathogens and Intermediate Coordinated Adduct Formation with Catalytic Cysteine Residues

Suman Abhishek, Sreeragh Sivadas, Mutyala Satish, Waghela Deeksha, Eerappa Rajakumara

ACS Omega · 2019 · 13 citations · 35 references

DOIFull text

Open access

Concepts

Abstract

(PfTrxR). This suggests that the TP and TAG moieties of AF may be sequentially eliminated during the transfer of Au(I) to catalytic cysteines of the receptor.

References

35

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

Clustal W and Clustal X version 2.0

Mark Larkin, Gordon Blackshields, Nigel P. Brown et al. · Bioinformatics · 2007 · 29.1K citations · Full text

, , +7

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

, , +14

Constant pressure molecular dynamics algorithms

Glenn Martyna, Douglas J. Tobias, Michael L. Klein · The Journal of Chemical Physics · 1994 · 5.9K citations

, , +13

A hierarchical approach to all‐atom protein loop prediction

Matthew P. Jacobson, David L. Pincus, Chaya S. Rapp et al. · Proteins Structure Function and Bioinformatics · 2004 · 2.5K citations

, , +17