Boltzmann Sampling by Degenerate Optical Parametric Oscillator Network for Structure-Based Virtual Screening

A structure-based lead optimization procedure is an essential step to finding appropriate ligand molecules binding to a target protein structure in order to identify drug candidates. This procedure takes a known structure of a protein-ligand complex as input, and structurally similar compounds with...

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Veröffentlicht in:	Entropy (Basel, Switzerland) Jg. 18; H. 10; S. 365
Hauptverfasser:	Sakaguchi, Hiromasa, Ogata, Koji, Isomura, Tetsu, Utsunomiya, Shoko, Yamamoto, Yoshihisa, Aihara, Kazuyuki
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Basel MDPI AG 01.10.2016
Schlagworte:	Atomic structure coherent Ising machine combinatorial optimization problem degenerate optical parametric oscillator (DOPO) Entropy Ligands Molecular structure Networks Optical Parametric Oscillators Optimization Sampling structure-based drug design
ISSN:	1099-4300, 1099-4300
Online-Zugang:	Volltext
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