scholarly journals Selectivity of pyoverdine recognition by the FpvA receptor of Pseudomonas aeruginosa from molecular dynamics simulations

2015 ◽  
Vol 17 (27) ◽  
pp. 18022-18034 ◽  
Author(s):  
Benjamin Bouvier ◽  
Christine Cézard ◽  
Pascal Sonnet
Keyword(s):  
Molecular Dynamics ◽  
Pseudomonas Aeruginosa ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Novel Antibiotics ◽  
The Way

Understanding the patterns of pyoverdine recognition by the bacterial FpvA receptor paves the way for the design of novel antibiotics.

scholarly journals Evidence of a Double-Lid Movement in Pseudomonas aeruginosa Lipase: Insights from Molecular Dynamics Simulations

2005 ◽  
Vol 1 (3) ◽  
pp. e28 ◽  
Author(s):  
Subbulakshmi Latha Cherukuvada ◽  
Aswin Sai Narain Seshasayee ◽  
Krishnan Raghunathan ◽  
Sharmila Anishetty ◽  
Gautam Pennathur
Keyword(s):  
Molecular Dynamics ◽  
Pseudomonas Aeruginosa ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

scholarly journals Molecular dynamics modeling ofPseudomonas aeruginosaouter membranes

2018 ◽  
Vol 20 (36) ◽  
pp. 23635-23648 ◽  
Author(s):  
Ao Li ◽  
Jeffrey W. Schertzer ◽  
Xin Yong
Keyword(s):  
Molecular Dynamics ◽  
Pseudomonas Aeruginosa ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Structural Information ◽  
Dynamics Modeling ◽  
Biologically Relevant ◽  
Molecular Dynamics Modeling ◽  
Dynamics Simulations

All-atom molecular dynamics simulations provide important structural information of asymmetric lipid membranes that are biologically relevant toPseudomonas aeruginosa.

The Viscous Coefficient Comparison between 2-D and 3-D Fluid Models in Molecular Dynamics Simulations

2011 ◽  
Vol 415-417 ◽  
pp. 62-65
Author(s):  
Dong Yu Xia ◽  
Xi Shan Sun ◽  
Mei Fen Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Periodic Boundary ◽  
Dynamics Simulation ◽  
Fluid Models ◽  
Dynamics Simulations ◽  
D Model ◽  
The Way

Abstract: In this paper，2-D and 3-D fluid models are calculated using equilibrium molecular dynamics simulation, the viscous coefficient and pressure are obtained under periodic boundary. By comparing and analyzing the differences of viscous coefficient and pressure curves between 2-D and 3-D fluid models, the way for how to use 2-D model to get the accurate viscous coefficient is found, the feasibility of 2-D model is discussed.

scholarly journals Insights Into Domain Movement in Pseudomonas aeruginosa Lipase: Evidence of a Double-Lid Movement from Molecular Dynamics SImulations

2005 ◽  
Vol preprint (2005) ◽  
pp. e28 ◽  
Author(s):  
Subbalakshmi Latha Cherukuvada ◽  
Aswin Sai Narain Seshasayee ◽  
Krishnan Raghunathan ◽  
Sharmila Anishetty ◽  
Gautam Pennathur
Keyword(s):  
Molecular Dynamics ◽  
Pseudomonas Aeruginosa ◽  
Molecular Dynamics Simulations ◽  
Domain Movement ◽  
Dynamics Simulations
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