scholarly journals FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening

2021 ◽  
Author(s):  
Hongyi Zhou ◽  
Hongnan Cao ◽  
Jeffrey Skolnick
Keyword(s):  
Ligand Screening ◽  
Virtual Ligand Screening

ChemInform Abstract: Virtual Ligand Screening of α-Glucosidase: Indentification of a Novel Potent Noncarbohydrate Mimetic Inhibitor.

ChemInform ◽  
2012 ◽  
Vol 43 (20) ◽  
pp. no-no
Author(s):  
Wataru Hakamata ◽  
Ryosuke Ishikawa ◽  
Yoriko Ushijima ◽  
Takumi Tsukagoshi ◽  
Saori Tamura ◽  
...  
Keyword(s):  
Ligand Screening ◽  
Virtual Ligand Screening

Identification of a pyrimidinetrione derivative as the potent DprE1 inhibitor by structure-based virtual ligand screening

2019 ◽  
Vol 85 ◽  
pp. 168-178 ◽  
Author(s):  
Ya Gao ◽  
Jinshan Xie ◽  
Ruotian Tang ◽  
Kaiyin Yang ◽  
Yahan Zhang ◽  
...  
Keyword(s):  
Ligand Screening ◽  
Virtual Ligand Screening

scholarly journals Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Grégory Menchon ◽  
Oriane Bombarde ◽  
Mansi Trivedi ◽  
Aurélie Négrel ◽  
Cyril Inard ◽  
...  
Keyword(s):  
Dna Ligase ◽  
Dna Ligase Iv ◽  
Ligand Screening ◽  
Virtual Ligand Screening ◽  
Ligase Iv

scholarly journals Novel cGMP Efflux Inhibitors Identified by Virtual Ligand Screening (VLS) and Confirmed by Experimental Studies

2012 ◽  
Vol 55 (7) ◽  
pp. 3049-3057 ◽  
Author(s):  
Georg Sager ◽  
Elin Ø. Ørvoll ◽  
Roy A. Lysaa ◽  
Irina Kufareva ◽  
Ruben Abagyan ◽  
...  
Keyword(s):  
Experimental Studies ◽  
Ligand Screening ◽  
Virtual Ligand Screening

Multiple Structures for Virtual Ligand Screening: Defining Binding Site Properties-Based Criteria to Optimize the Selection of the Query

2013 ◽  
Vol 53 (2) ◽  
pp. 293-311 ◽  
Author(s):  
Nesrine Ben Nasr ◽  
Hélène Guillemain ◽  
Nathalie Lagarde ◽  
Jean-François Zagury ◽  
Matthieu Montes
Keyword(s):  
Binding Site ◽  
Ligand Screening ◽  
Virtual Ligand Screening ◽  
Multiple Structures ◽  
Selection Of
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