Drug-Loading Capacity of PAMAM Dendrimers Encapsulating Quercetin Molecules: A Molecular Dynamics Study with the 2016H66 Force Field

2021 ◽  
Vol 61 (2) ◽  
pp. 987-1000
Author(s):  
Mayk C. Ramos ◽  
Bruno A. C. Horta
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Drug Loading ◽  
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scholarly journals Exploring the drug loading mechanism of photoresponsive inorganic nanocarriers through molecular dynamics simulations

Nanoscale ◽  
2021 ◽  
Author(s):  
Stefano Motta ◽  
Paulo Siani ◽  
Andrea Levy ◽  
Cristiana Di Valentin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Combine Therapy ◽  
Drug Loading ◽  
Drug Carriers ◽  
Inorganic Nanoparticles ◽  
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Physical Stimuli ◽  
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Inorganic nanoparticles are gaining increasing attention as drug carriers because they respond to external physical stimuli, allowing to combine therapy with diagnosis. Their drawback is a low drug loading capacity,...

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2019 ◽  
Vol 233 ◽  
pp. 230-235 ◽  
Author(s):  
Li-li Lu ◽  
Wen-ya Xiong ◽  
Jun-bin Ma ◽  
Tian-fang Gao ◽  
Si-yuan Peng ◽  
...  
Keyword(s):  
Drug Loading ◽  
Loading Capacity ◽  
High Drug ◽  
Dual Responsive ◽  
Mesoporous Organosilica ◽  
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Molecular Dynamics Study of Aqueous Solution of Polyethylene Oxide: Critical Test of Force Field Models

2013 ◽  
Vol 11 (4) ◽  
pp. 371-383 ◽  
Author(s):  
Yong-Lei Wang ◽  
Rochelle S. Lawrence ◽  
Zhong-Yuan Lu ◽  
Aatto Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Force Field ◽  
Polyethylene Oxide ◽  
Critical Test

scholarly journals New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations

RSC Advances ◽  
2014 ◽  
Vol 4 (89) ◽  
pp. 48621-48631 ◽  
Author(s):  
Eleanor R. Turpin ◽  
Sam Mulholland ◽  
Andrew M. Teale ◽  
Boyan B. Bonev ◽  
Jonathan D. Hirst
Keyword(s):  
Molecular Dynamics ◽  
Amino Acid ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Amino Acid Residues ◽  
Charmm Force Field ◽  
Force Field Parameters ◽  
Dynamics Simulations

Molecular dynamics study of DNA binding by INT-DBD under a polarized force field

2013 ◽  
Vol 34 (13) ◽  
pp. 1136-1142 ◽  
Author(s):  
Xue X. Yao ◽  
Chang G. Ji ◽  
Dai Q. Xie ◽  
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Keyword(s):  
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Molecular Dynamics Study of Hydration in Ethanol−Water Mixtures Using a Polarizable Force Field†

2005 ◽  
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pp. 6705-6713 ◽  
Author(s):  
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Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Polarizable Force Field
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