The effect of dichlorvos on the structural alteration of serum albumins: a combined spectroscopic and molecular dynamic simulation approach

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-016-1857-9 ◽

2016 ◽

Vol 148 (6) ◽

pp. 1141-1151 ◽

Author(s):

Tecush Mohammadi ◽

Yousef Ghayeb ◽

Tayebeh Sharifi ◽

Taghi Khayamian

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Structural Alteration ◽

Simulation Approach ◽

Download Full-text

Molecular dynamic simulation approach to understand the physical and proton transport properties of chitosan/sulfonated Poly(Vinyl alcohol) composite membranes

Polymer ◽

10.1016/j.polymer.2021.123458 ◽

2021 ◽

Vol 217 ◽

pp. 123458

Author(s):

Chun Yik Wong ◽

Wai Yin Wong ◽

Lijun Liu ◽

Yoji Shibutani ◽

Kee Shyuan Loh

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Vinyl Alcohol ◽

Proton Transport ◽

Composite Membranes ◽

Poly Vinyl Alcohol ◽

Simulation Approach ◽

Proton Transport Properties ◽

Sulfonated Poly

Download Full-text

Crosslinking and interfacial behavior of carboxylic functionalized carbon nanotube Epon nanocomposites: a molecular dynamic simulation approach

SN Applied Sciences ◽

10.1007/s42452-019-1441-0 ◽

2019 ◽

Vol 1 (11) ◽

Author(s):

Farooq Syed ◽

Shaik Zainuddin ◽

Andrea Willis ◽

Mahesh Hosur ◽

Shaik Jeelani

Keyword(s):

Carbon Nanotube ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Approach ◽

Interfacial Behavior ◽

Functionalized Carbon Nanotube

Download Full-text

Predicting the drug loading efficiency into hybrid nanocarriers based on PLGA-vegetable oil using molecular dynamic simulation approach and Flory-Huggins theory

Journal of Drug Delivery Science and Technology ◽

10.1016/j.jddst.2019.101203 ◽

2019 ◽

Vol 53 ◽

pp. 101203 ◽

Author(s):

Jana Ghitman ◽

Raluca Stan ◽

George Vlasceanu ◽

Eugeniu Vasile ◽

Horia Iovu

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Vegetable Oil ◽

Drug Loading ◽

Simulation Approach ◽

Loading Efficiency ◽

Drug Loading Efficiency

Download Full-text

Effects of gabergic phenols on the dynamic and structure of lipid bilayers: A molecular dynamic simulation approach

PLoS ONE ◽

10.1371/journal.pone.0218042 ◽

2019 ◽

Vol 14 (6) ◽

pp. e0218042 ◽

Author(s):

Virginia Miguel ◽

Marcos A. Villarreal ◽

Daniel A. García

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Lipid Bilayers ◽

Dynamic Simulation ◽

Simulation Approach

Download Full-text

On O2 gas permeability of PP/PLA/clay nanocomposites: A molecular dynamic simulation approach

Polymer Testing ◽

10.1016/j.polymertesting.2015.05.010 ◽

2015 ◽

Vol 45 ◽

pp. 139-151 ◽

Author(s):

Hassan Ebadi-Dehaghani ◽

Mehdi Barikani ◽

Hossein Ali Khonakdar ◽

Seyed Hassan Jafari ◽

Udo Wagenknecht ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Gas Permeability ◽

Clay Nanocomposites ◽

Simulation Approach

Download Full-text

Molecular Dynamic Simulation Approach Provides Insights into the Tumorigenesis of the N Terminal Portion of the Retinoblastoma Protein

The FASEB Journal ◽

10.1096/fasebj.2020.34.s1.04077 ◽

2020 ◽

Vol 34 (S1) ◽

pp. 1-1

Author(s):

Pietro Vagnone ◽

Audrey Shor ◽

Sergiy Borysov

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Retinoblastoma Protein ◽

Simulation Approach ◽

Terminal Portion

Download Full-text

Insight into the therapeutic potential of a bicyclic hydroxypyridone compound as COMT inhibitor in the treatment of Parkinson’s Disease: A Molecular Dynamic Simulation Approach

Chemistry & Biodiversity ◽

10.1002/cbdv.202100204 ◽

2021 ◽

Author(s):

Mahmoud Soliman ◽

Temitayo I. Subair ◽

Oluwole B. Akawa ◽

Opeyemi S. Soremekun ◽

Fisayo A. Olotu

Keyword(s):

Parkinson’S Disease ◽

Parkinson's Disease ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Therapeutic Potential ◽

Simulation Approach ◽

Comt Inhibitor ◽

Download Full-text

A Comprehensive In Silico Analysis on the Structural and Functional Impact of SNPs in the Congenital Heart Defects Associated with NKX2-5 Gene—A Molecular Dynamic Simulation Approach

PLoS ONE ◽

10.1371/journal.pone.0153999 ◽

2016 ◽

Vol 11 (5) ◽

pp. e0153999 ◽

Author(s):

Firoz Abdul Samad ◽

Bandar A. Suliman ◽

Syed Hussain Basha ◽

Thamilarasan Manivasagam ◽

Musthafa Mohamed Essa

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Congenital Heart Defects ◽

In Silico ◽

Congenital Heart ◽

Heart Defects ◽

In Silico Analysis ◽

Simulation Approach ◽

Silico Analysis

Download Full-text

Potential Energy/Volume Evolution and Atomic Trajectories Analysis of Amorphous Alloys in Nanometric Cutting Process: A Molecular Dynamic Simulation Approach

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2016.4870 ◽

2016 ◽

Vol 13 (1) ◽

pp. 752-760

Author(s):

Yan Zhao ◽

Xunli Wei ◽

Yan Zhang ◽

Jiachun Wang ◽

Dehong Huo

Keyword(s):

Potential Energy ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Amorphous Alloys ◽

Cutting Process ◽

Simulation Approach ◽

Nanometric Cutting

Download Full-text

Identification of a common recognition center for a photoactive non-steroidal antiinflammatory drug in serum albumins of different species

Organic Chemistry Frontiers ◽

10.1039/c8qo01045e ◽

2019 ◽

Vol 6 (1) ◽

pp. 99-109

Author(s):

Oscar Molins-Molina ◽

Emilio Lence ◽

Daniel Limones-Herrero ◽

Concepción González-Bello ◽

Miguel A. Miranda ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Antiinflammatory Drug ◽

Simulation Studies ◽

Photoreactivity, proteomic and molecular dynamic simulation studies demonstrate the existence of a common recognition center for carprofen in serum albumins of different species, in the interface between subdomains IB and IIIA.

Download Full-text