scholarly journals Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing

2021 ◽  
Vol 8 (1) ◽  
pp. 1
Author(s):  
Dipta Dey ◽  
Parag Paul ◽  
Salauddin Azad ◽  
Mohammad Mazid ◽  
Arman Khan ◽  
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Keyword(s):  
Dynamic Simulation ◽  
In Silico ◽  
S Protein ◽  
Drug Designing ◽  
Targeted Drug ◽  
Protein Attachment

Drug Designing Approaches Using In-Silico Techniques [Book Review]

2012 ◽  
Vol 4 (4) ◽  
pp. 1-9
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Samsad Razzaque ◽  
Aubhishek Zaman
Keyword(s):  
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scholarly journals Dexibuprofen amide derivatives as potential anticancer agents: synthesis, in silico docking, bioevaluation, and molecular dynamic simulation

2019 ◽  
Vol Volume 13 ◽  
pp. 1643-1657 ◽  
Author(s):  
Zaman Ashraf ◽  
Tariq Mahmood ◽  
Mubashir Hassan ◽  
Samina Afzal ◽  
Hummera Rafique ◽  
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Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Anticancer Agents ◽  
In Silico ◽  
In Silico Docking ◽  
Amide Derivatives

scholarly journals In-silico prediction of novel drug-target complex of nsp3 of CHIKV through molecular dynamic simulation

Heliyon ◽  
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pp. e04720 ◽  
Author(s):  
Durgesh Kumar ◽  
Mahendra Kumar Meena ◽  
Kamlesh Kumari ◽  
Rajan Patel ◽  
Abhilash Jayaraj ◽  
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Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
In Silico ◽  
Drug Target ◽  
In Silico Prediction ◽  
Novel Drug

scholarly journals In-silico design of a potential inhibitor of SARS-CoV-2 S protein

PLoS ONE ◽  
2020 ◽  
Vol 15 (10) ◽  
pp. e0240004 ◽  
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Veerendra Kumar
Keyword(s):  
In Silico ◽  
S Protein ◽  
In Silico Design ◽  
Potential Inhibitor
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