Identification of the Target Binding Site of Ethanolamine-Binding Aptamers and Its Exploitation for Ethanolamine Detection

2014 ◽  
Vol 87 (1) ◽  
pp. 677-685 ◽  
Author(s):  
Alexandra Heilkenbrinker ◽  
Christine Reinemann ◽  
Regina Stoltenburg ◽  
Johanna-Gabriela Walter ◽  
André Jochums ◽  
...  
Keyword(s):  
Binding Site ◽  
Target Binding ◽  
Target Binding Site

scholarly journals How Does a Drug Molecule Find Its Target Binding Site?

2011 ◽  
Vol 133 (24) ◽  
pp. 9181-9183 ◽  
Author(s):  
Yibing Shan ◽  
Eric T. Kim ◽  
Michael P. Eastwood ◽  
Ron O. Dror ◽  
Markus A. Seeliger ◽  
...  
Keyword(s):  
Binding Site ◽  
Drug Molecule ◽  
Target Binding ◽  
Target Binding Site

POSE SCALING: GEOMETRICAL ASSESSMENT OF LIGAND BINDING POSES

2008 ◽  
Vol 07 (04) ◽  
pp. 833-852 ◽  
Author(s):  
SHIJUN ZHONG ◽  
ALEXANDER D. MACKERELL
Keyword(s):  
Ligand Binding ◽  
Binding Site ◽  
In Silico ◽  
Scaling Factor ◽  
Large Numbers ◽  
Database Screening ◽  
Target Binding ◽  
Target Binding Site

A descriptor, the pose scaling factor, is proposed to quantitatively evaluate the geometrical match between a ligand and a target binding site. The pose scaling factor can be used to readily rank results of target-based in silico database screening or docking on large numbers of compounds. Such an approach will be of utility in the development and refinement of docking algorithms.

Tubulin is the Target Binding Site for NAP-Related Peptides: ADNF-9, D-NAP, and D-SAL

2006 ◽  
Vol 28 (3) ◽  
pp. 303-308 ◽  
Author(s):  
Miri Holtser-Cochav ◽  
Inna Divinski ◽  
Illana Gozes
Keyword(s):  
Binding Site ◽  
Target Binding ◽  
Target Binding Site

Characterization of the binding of tau imaging ligands to melanin-containing cells: putative off-target-binding site

2019 ◽  
Vol 33 (6) ◽  
pp. 375-382 ◽  
Author(s):  
Tetsuro Tago ◽  
Jun Toyohara ◽  
Ryuichi Harada ◽  
Shozo Furumoto ◽  
Nubuyuki Okamura ◽  
...  
Keyword(s):  
Binding Site ◽  
Tau Imaging ◽  
Target Binding ◽  
Target Binding Site

scholarly journals Structure-based de novo drug design using 3D deep generative models

2021 ◽  
Author(s):  
Yibo Li ◽  
Jianfeng Pei ◽  
Luhua Lai
Keyword(s):  
Drug Design ◽  
Binding Site ◽  
De Novo ◽  
Generative Models ◽  
Generative Model ◽  
De Novo Drug Design ◽  
3D Structures ◽  
Target Binding ◽  
Target Binding Site

DeepLigBuilder, a novel deep generative model for structure-based de novo drug design, directly generates 3D structures of drug-like compounds in the target binding site.

Correction to How Does a Drug Molecule Find its Target Binding Site?

2014 ◽  
Vol 136 (8) ◽  
pp. 3320-3320 ◽  
Author(s):  
Yibing Shan ◽  
Eric Kim ◽  
Michael P. Eastwood ◽  
Ron O. Dror ◽  
Markus A. Seeliger ◽  
...  
Keyword(s):  
Binding Site ◽  
Drug Molecule ◽  
Target Binding ◽  
Target Binding Site
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