scholarly journals Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2

2011 ◽  
Vol 133 (32) ◽  
pp. 12834-12841 ◽  
Author(s):  
Jun Wang ◽  
Chunlong Ma ◽  
Giacomo Fiorin ◽  
Vincenzo Carnevale ◽  
Tuo Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Influenza A Virus ◽  
Influenza A ◽  
Rational Design ◽  
Dynamics Simulation ◽  
Drug Resistant ◽  
Resistant Mutants

Molecular dynamics simulation studies on influenza A virus H5N1 complexed with sialic acid and fluorinated sialic acid

2019 ◽  
Vol 37 (18) ◽  
pp. 4813-4824 ◽  
Author(s):  
R. A. Jeyaram ◽  
T. R. K. Priyadarzini ◽  
C. Anu Radha ◽  
N. R. Siva Shanmugam ◽  
C. Ramakrishnan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Sialic Acid ◽  
Molecular Dynamics Simulation ◽  
Influenza A Virus ◽  
Influenza A ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Virus H5n1

Molecular dynamics simulation analysis of conessine against multi drug resistant Serratia marcescens

2019 ◽  
Vol 67 ◽  
pp. 101-111
Author(s):  
Kalyani Dhusia ◽  
Kalpana Raja ◽  
Pierre Paul Michel Thomas ◽  
Pramod K. Yadav ◽  
Pramod W. Ramteke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Serratia Marcescens ◽  
Simulation Analysis ◽  
Dynamics Simulation ◽  
Drug Resistant

The effect of amino substituents on the interactions of quinazolone derivatives with c-KIT G-quadruplex: insight from molecular dynamics simulation study for rational design of ligands

RSC Advances ◽  
2015 ◽  
Vol 5 (93) ◽  
pp. 76642-76650 ◽  
Author(s):  
Kiana Gholamjani Moghaddam ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Rational Design ◽  
Ligand Design ◽  
Dynamics Simulation ◽  
Rational Ligand Design ◽  
G Quadruplex ◽  
Ligand Interactions ◽  
Insight Into

Our study provides insight into the effect of different substituents on the G-quadruplex–ligand interactions which helps us rational ligand design.

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