Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation

Dynamics Simulation ◽

Effect of Sequence Variation on the Mechanical Response of Amyloid Fibrils Probed by Steered Molecular Dynamics Simulation

Biophysical Journal ◽

10.1016/j.bpj.2011.12.047 ◽

2012 ◽

Vol 102 (3) ◽

pp. 587-596 ◽

Cited By ~ 30

Author(s):

Hlengisizwe Ndlovu ◽

Alison E. Ashcroft ◽

Sheena E. Radford ◽

Sarah A. Harris

Keyword(s):

Molecular Dynamics ◽

Sequence Variation ◽

Amyloid Fibrils ◽

Mechanical Response ◽

Dynamics Simulation ◽

Effect of mutation at the interface of Trp-repressor dimeric protein: a steered molecular dynamics simulation

European Biophysics Journal ◽

10.1007/s00249-013-0918-9 ◽

2013 ◽

Vol 42 (9) ◽

pp. 683-690 ◽

Cited By ~ 9

Author(s):

German Miño ◽

Mauricio Baez ◽

Gonzalo Gutierrez

Keyword(s):

Molecular Dynamics ◽

Protein A ◽

Dynamics Simulation ◽

Trp Repressor ◽

Steered Molecular Dynamics Simulation ◽

Dimeric Protein

Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp0552877 ◽

2005 ◽

Vol 109 (49) ◽

pp. 23730-23738 ◽

Cited By ~ 37

Author(s):

Chunying Niu ◽

Yechun Xu ◽

Yong Xu ◽

Xiaomin Luo ◽

Wenhu Duan ◽

...

Keyword(s):

Molecular Dynamics ◽

Dynamic Mechanism ◽

Dynamics Simulation ◽

Analysis of the Interaction between a Protein and Polymer Membranes Using Steered Molecular Dynamics Simulation to Interpret the Fouling Behavior

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20200173 ◽

2020 ◽

Vol 93 (12) ◽

pp. 1443-1448

Author(s):

Shunsuke Mieda

Keyword(s):

Molecular Dynamics ◽

Polymer Membranes ◽

Dynamics Simulation ◽

2009 Annual International Conference of the IEEE Engineering in Medicine and Biology Society ◽

Study on the binding mode of the integrase with DNA via steered molecular dynamics simulation

10.1109/iembs.2009.5332821 ◽

2009 ◽

Author(s):

Cun Xin Wang ◽

Ming Liu ◽

Ping Li ◽

Xiao Jing Cong ◽

Jian Jun Tan ◽

...

Keyword(s):

Molecular Dynamics ◽

Binding Mode ◽

Dynamics Simulation ◽

A steered molecular dynamics simulation on the elastic behavior of adsorbed star polymer chains

Chinese Journal of Polymer Science ◽

10.1007/s10118-010-9144-4 ◽

2010 ◽

Vol 28 (5) ◽

pp. 789-799 ◽

Cited By ~ 1

Author(s):

Yu Shen ◽

Shi-ping Ruan ◽

Sai-ying Ye ◽

Ting-ting Sun ◽

Jian-zhong Wang

Keyword(s):

Molecular Dynamics ◽

Polymer Chains ◽

Dynamics Simulation ◽

Star Polymer ◽

Elastic Behavior ◽

Steered Molecular Dynamics Simulation of Kinesin Detachment from the Microtubule Surface and the Effect of 1,3-Dinitrobenzene

Biophysical Journal ◽

10.1016/j.bpj.2012.11.1848 ◽

2013 ◽

Vol 104 (2) ◽

pp. 332a-333a ◽

Cited By ~ 3

Author(s):

Tran D. Trinh ◽

Martin A. Philbert ◽

Christian M. Lastoskie

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Carbon Nanotube-Encapsulated Drug Penetration Through the Cell Membrane: An Investigation Based on Steered Molecular Dynamics Simulation

The Journal of Membrane Biology ◽

10.1007/s00232-013-9587-y ◽

2013 ◽

Vol 246 (9) ◽

pp. 697-704 ◽

Cited By ~ 25

Author(s):

Seyedeh Zahra Mousavi ◽

Sepideh Amjad-Iranagh ◽

Yousef Nademi ◽

Hamid Modarress

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Cell Membrane ◽

Dynamics Simulation ◽

Drug Penetration ◽

Disclosing the Template-Induced Misfolding Mechanism of Tau Protein by Studying the Dissociation of the Boundary Chain from the Formed Tau Fibril Based on a Steered Molecular Dynamics Simulation

ACS Chemical Neuroscience ◽

10.1021/acschemneuro.8b00732 ◽

2019 ◽

Vol 10 (3) ◽

pp. 1854-1865 ◽

Cited By ~ 2

Author(s):

Hongli Liu ◽

Xuewei Liu ◽

Shuangyan Zhou ◽

Xiaoli An ◽

Huanxiang Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Tau Protein ◽

Dynamics Simulation ◽

Investigation on penetration of saffron components through lipid bilayer bound to spike protein of SARS-CoV-2 using steered molecular dynamics simulation

Heliyon ◽

10.1016/j.heliyon.2020.e05681 ◽

2020 ◽

Vol 6 (12) ◽

pp. e05681

Author(s):

Azadeh Kordzadeh ◽

Ahmad Ramazani Saadatabadi ◽

Amin Hadi

Keyword(s):

Molecular Dynamics ◽

Lipid Bilayer ◽

Dynamics Simulation ◽

Spike Protein ◽