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A virtual drug-screening approach to conquer huge chemical libraries
Nature
◽
10.1038/d41586-021-03682-1
◽
2021
◽
Author(s):
Charlotte Deane
◽
Maranga Mokaya
Keyword(s):
Drug Screening
◽
Chemical Libraries
◽
Screening Approach
◽
Virtual Drug Screening
Download Full-text
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Identification of Novel Vacuolin-1 Analogues as Autophagy Inhibitors by Virtual Drug Screening and Chemical Synthesis
Molecules
◽
10.3390/molecules22060891
◽
2017
◽
Vol 22
(6)
◽
pp. 891
◽
Cited By ~ 4
Author(s):
Chang Chen
◽
Yingying Lu
◽
Ho Ming Siu
◽
Jintao Guan
◽
LongChao Zhu
◽
...
Keyword(s):
Chemical Synthesis
◽
Drug Screening
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Virtual Drug Screening
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Identification of Potential Key Agents for Targeting RNA-Dependent RNA Polymerase of SARS-CoV-2 by Integrated Analysis and Virtual Drug Screening
Frontiers in Genetics
◽
10.3389/fgene.2020.581668
◽
2020
◽
Vol 11
◽
Author(s):
Shuang Ao
◽
Dan Han
◽
Lei Sun
◽
Yanhong Wu
◽
Shuang Liu
◽
...
Keyword(s):
Rna Polymerase
◽
Drug Screening
◽
Integrated Analysis
◽
Rna Dependent Rna Polymerase
◽
Virtual Drug Screening
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ChemInform Abstract: MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening.
ChemInform
◽
10.1002/chin.200848214
◽
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
Download Full-text
Local kernel canonical correlation analysis with application to virtual drug screening
The Annals of Applied Statistics
◽
10.1214/11-aoas472
◽
2011
◽
Vol 5
(3)
◽
pp. 2169-2196
◽
Cited By ~ 6
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
Download Full-text
Applying Virtual Drug Screening Workflow Module of Schrödinger into College Bioinformatics and Chemoinformatics Teaching
Daxue Huaxue
◽
10.3866/pku.dxhx201801023
◽
2018
◽
Vol 33
(5)
◽
pp. 66-71
Author(s):
Qifeng BAI
◽
◽
Yang ZHANG
◽
Lingling JIN
◽
Xiaojun YAO
◽
...
Keyword(s):
Drug Screening
◽
Virtual Drug Screening
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High performance in silico virtual drug screening on many-core processors
The International Journal of High Performance Computing Applications
◽
10.1177/1094342014528252
◽
2014
◽
Vol 29
(2)
◽
pp. 119-134
◽
Cited By ~ 43
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
Download Full-text
Congestion game scheduling for virtual drug screening optimization
Journal of Computer-Aided Molecular Design
◽
10.1007/s10822-017-0093-7
◽
2017
◽
Vol 32
(2)
◽
pp. 363-374
◽
Cited By ~ 4
Author(s):
Natalia Nikitina
◽
Evgeny Ivashko
◽
Andrei Tchernykh
Keyword(s):
Drug Screening
◽
Congestion Game
◽
Virtual Drug Screening
Download Full-text
Virtual drug screening for prion diseases: A valuable step?
EBioMedicine
◽
10.1016/j.ebiom.2016.06.043
◽
2016
◽
Vol 9
◽
pp. 15-16
◽
Cited By ~ 1
Author(s):
Yraima Cordeiro
Keyword(s):
Drug Screening
◽
Prion Diseases
◽
Virtual Drug Screening
Download Full-text
Faculty Opinions recommendation of Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
◽
10.3410/f.726287682.793543613
◽
2018
◽
Author(s):
Robert Powers
◽
Heidi Roth
Keyword(s):
Drug Screening
◽
Ligand Docking
◽
Virtual Drug Screening
Download Full-text
A novel virtual drug screening pipeline with deep-leaning as core component identifies inhibitor of pancreatic alpha-amylase
10.1109/bibm52615.2021.9669306
◽
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
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