Molecular Dynamics Simulation of 1,2-Dilauroy1-L-Phosphatidylethanolamine Binding to Phospholipase A2: An Attempt to Explain the Selective Hydrolysis of Substrate Fatty Acid Ester at Position 2

Phospholipase A2 ◽

Fatty Acid Ester ◽

Acid Ester ◽

Dynamics Simulation ◽

Selective Hydrolysis ◽

Hydrolysis Of ◽

Substrate Fatty Acid

Changes in a Phospholipid Bilayer Induced by the Hydrolysis of a Phospholipase A2 Enzyme: A Molecular Dynamics Simulation Study

Biophysical Journal ◽

10.1016/s0006-3495(01)76038-9 ◽

2001 ◽

Vol 80 (2) ◽

pp. 565-578 ◽

Cited By ~ 18

Author(s):

Marja T. Hyvönen ◽

Katariina Öörni ◽

Petri T. Kovanen ◽

Mika Ala-Korpela

Keyword(s):

Molecular Dynamics ◽

Phospholipase A2 ◽

Simulation Study ◽

Phospholipid Bilayer ◽

Dynamics Simulation ◽

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

Neutral Hydrolysis of Methyl Formate from Ab initio Potentials and Molecular Dynamics Simulation

10.1007/978-94-007-2076-3_23 ◽

2011 ◽

pp. 395-403 ◽

Cited By ~ 1

Author(s):

S. Tolosa Arroyo ◽

A. Hidalgo Garcia ◽

J. A. Sansón Martín

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Methyl Formate ◽

Dynamics Simulation ◽

Ab Initio Potentials ◽

Insights into the mechanism of inhibition of phospholipase A2 by resveratrol: An extensive molecular dynamics simulation and binding free energy calculation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107649 ◽

2020 ◽

Vol 100 ◽

pp. 107649

Author(s):

Sajedeh Sharifpour ◽

Sara Fakhraee ◽

Reza Behjatmanesh-Ardakani

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Phospholipase A2 ◽

Binding Free Energy ◽

Dynamics Simulation ◽

Free Energy Calculation ◽

Energy Calculation ◽

Binding Free Energy Calculation ◽

Mechanism Of Inhibition

The Proceedings of the Conference on Information Intelligence and Precision Equipment IIP ◽

Coarse-grained Molecular Dynamics Simulation of Fatty Acid Additives in Lubricating Oil in Corrugated Sliding Gap

10.1299/jsmeiip.2018.2b13_1 ◽

2018 ◽

Vol 2018 (0) ◽

pp. 2B13_1

Author(s):

Sho WASHIO ◽

Hedong ZHANG ◽

Kenji FUKUZAWA ◽

Shintaro ITOH

Keyword(s):

Molecular Dynamics ◽

Fatty Acid ◽

Dynamics Simulation ◽

Coarse Grained ◽

Lubricating Oil ◽

Coarse Grained Molecular Dynamics

Theoretical study of the neutral hydrolysis of methyl formate via a concerted and stepwise water-assisted mechanism using free-energy curves and molecular dynamics simulation

Structural Chemistry ◽

10.1007/s11224-011-9777-0 ◽

2011 ◽

Vol 22 (4) ◽

pp. 909-915 ◽

Cited By ~ 5

Author(s):

S. Tolosa Arroyo ◽

A. Hidalgo García ◽

M. Moreno Alvero ◽

J. A. Sansón Martín

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Methyl Formate ◽

Theoretical Study ◽

Dynamics Simulation ◽

Molecular Dynamics Simulation Of A Fatty Acid β-Oxidation Multienzyme

Biophysical Journal ◽

10.1016/j.bpj.2008.12.1610 ◽

2009 ◽

Vol 96 (3) ◽

pp. 321a

Author(s):

Tadaomi Furuta ◽

Akinori Kidera

Keyword(s):

Molecular Dynamics ◽

Fatty Acid ◽

Dynamics Simulation

Effects of the Phosphates derived by Hydrolysis of the Phosphatides on Autoxidation Rates of the Water-Unsaturated Fatty Acid Ester System

Journal of Japan Oil Chemists Society ◽

10.5650/jos1956.15.7 ◽

1966 ◽

Vol 15 (1) ◽

pp. 7-12

Author(s):

Chieko URAKAMI ◽

Noriko HIROSAWA ◽

Naoko MORIKAWA

Keyword(s):

Fatty Acid ◽

Fatty Acid Ester ◽

Unsaturated Fatty Acid ◽

Acid Ester ◽

Unsaturated Fatty Acid Ester ◽

Analyses of Non-bonding Length, Partial Atomics Charge and Electrostatic Energy from Molecular Dynamics Simulation of Phospholipase A2 – Substrate

Indonesian Journal of Fundamental and Applied Chemistry ◽

10.24845/ijfac.v1.i3.72 ◽

2016 ◽

Vol 1 (3) ◽

pp. 72-77

Author(s):

Nirwan Syarif ◽

◽

Dedi Rohendi

Keyword(s):

Molecular Dynamics ◽

Phospholipase A2 ◽

Dynamics Simulation ◽

Electrostatic Energy ◽

Bonding Length

Molecular Dynamics Simulation of Conformational Change in a Fatty Acid β-Oxidation Multienzyme Complex

Biophysical Journal ◽

10.1016/j.bpj.2009.12.2399 ◽

2010 ◽

Vol 98 (3) ◽

pp. 442a

Author(s):

Tadaomi Furuta ◽

Tohru Terada ◽

Akinori Kidera

Keyword(s):

Molecular Dynamics ◽

Fatty Acid ◽

Conformational Change ◽

Dynamics Simulation ◽

Multienzyme Complex

Electrostatic interaction-mediated conformational changes of adipocyte fatty acid binding protein probed by molecular dynamics simulation

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2018.1520648 ◽

2018 ◽

Vol 37 (14) ◽

pp. 3583-3595 ◽

Cited By ~ 9

Author(s):

Fangfang Yan ◽

Xinguo Liu ◽

Shaolong Zhang ◽

Jing Su ◽

Qinggang Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Fatty Acid ◽

Conformational Changes ◽

Electrostatic Interaction ◽

Fatty Acid Binding Protein ◽

Binding Protein ◽

Dynamics Simulation ◽

Fatty Acid Binding ◽

Acid Binding Protein