A novel virtual drug screening pipeline with deep-leaning as core component identifies inhibitor of pancreatic alpha-amylase

2021 ◽  
Author(s):  
Haiping Zhang ◽  
Tingting Zhang ◽  
Konda Mani Saravanan ◽  
Linbu Liao ◽  
Hao Wu ◽  
...  
Keyword(s):  
Drug Screening ◽  
Alpha Amylase ◽  
Core Component ◽  
Virtual Drug Screening

scholarly journals Identification of Novel Vacuolin-1 Analogues as Autophagy Inhibitors by Virtual Drug Screening and Chemical Synthesis

Molecules ◽  
2017 ◽  
Vol 22 (6) ◽  
pp. 891 ◽  
Author(s):  
Chang Chen ◽  
Yingying Lu ◽  
Ho Ming Siu ◽  
Jintao Guan ◽  
LongChao Zhu ◽  
...  
Keyword(s):  
Chemical Synthesis ◽  
Drug Screening ◽  
Virtual Drug Screening

ChemInform Abstract: MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening.

ChemInform ◽  
2008 ◽  
Vol 39 (48) ◽  
Author(s):  
Shuangye Yin ◽  
Lada Biedermannova ◽  
Jiri Vondrasek ◽  
Nikolay V. Dokholyan
Keyword(s):  
Force Field ◽  
Drug Screening ◽  
Scoring Function ◽  
Virtual Drug Screening

scholarly journals Local kernel canonical correlation analysis with application to virtual drug screening

2011 ◽  
Vol 5 (3) ◽  
pp. 2169-2196 ◽  
Author(s):  
Daniel Samarov ◽  
J. S. Marron ◽  
Yufeng Liu ◽  
Christopher Grulke ◽  
Alexander Tropsha
Keyword(s):  
Correlation Analysis ◽  
Canonical Correlation Analysis ◽  
Drug Screening ◽  
Canonical Correlation ◽  
Kernel Canonical Correlation Analysis ◽  
Virtual Drug Screening

Applying Virtual Drug Screening Workflow Module of Schrödinger into College Bioinformatics and Chemoinformatics Teaching

Daxue Huaxue ◽  
2018 ◽  
Vol 33 (5) ◽  
pp. 66-71
Author(s):  
Qifeng BAI ◽  
◽  
Yang ZHANG ◽  
Lingling JIN ◽  
Xiaojun YAO ◽  
...  
Keyword(s):  
Drug Screening ◽  
Virtual Drug Screening

scholarly journals High performance in silico virtual drug screening on many-core processors

2014 ◽  
Vol 29 (2) ◽  
pp. 119-134 ◽  
Author(s):  
Simon McIntosh-Smith ◽  
James Price ◽  
Richard B Sessions ◽  
Amaurys A Ibarra
Keyword(s):  
Drug Screening ◽  
In Silico ◽  
High Performance ◽  
Many Core ◽  
Virtual Drug Screening

Congestion game scheduling for virtual drug screening optimization

2017 ◽  
Vol 32 (2) ◽  
pp. 363-374 ◽  
Author(s):  
Natalia Nikitina ◽  
Evgeny Ivashko ◽  
Andrei Tchernykh
Keyword(s):  
Drug Screening ◽  
Congestion Game ◽  
Virtual Drug Screening
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