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...

Celý popis

Uložené v:

Podrobná bibliografia
Vydané v:	Entropy (Basel, Switzerland) Ročník 18; číslo 10; s. 365
Hlavní autori:	Sakaguchi, Hiromasa, Ogata, Koji, Isomura, Tetsu, Utsunomiya, Shoko, Yamamoto, Yoshihisa, Aihara, Kazuyuki
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Basel MDPI AG 01.10.2016
Predmet:	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
On-line prístup:	Získať plný text
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!

Buďte prvý, kto okomentuje tento záznam!