Seyed Majid Hashemianzadeh
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Explore the profile of Seyed Majid Hashemianzadeh including associated specialties, affiliations and a list of published articles.
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30
Citations
65
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Recent Articles
1.
Shirani H, Hashemianzadeh S
ACS Med Chem Lett
. 2024 Nov;
15(11):1979-1986.
PMID: 39563810
The ANI-1x neural network potential, trained on the density functional theory data set, as a quantum-level machine learning calculation has been investigated to forecast the potential energy surfaces of the...
2.
Shirani H, Hashemianzadeh S
Comput Biol Chem
. 2024 Jul;
112:108146.
PMID: 39067350
Many drug molecules contain functional groups, resulting in a torsional barrier corresponding to rotation around the bond linking the fragments. In medicinal chemistry and pharmaceutical sciences, inclusive of drug design...
3.
Rezaee M, Ekrami S, Hashemianzadeh S
Sci Rep
. 2024 May;
14(1):11791.
PMID: 38783010
In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the...
4.
Yarahmadi B, Hashemianzadeh S, Milani Hosseini S
Heliyon
. 2023 Jul;
9(7):e17953.
PMID: 37519665
The molecularly imprinted polymer (MIP) is useful for measuring the amount of riboflavin (vitamin B2), in various samples using UV/Vis instruments. The practical optimization of the MIP synthesis conditions has...
5.
Yarahmadi B, Hashemianzadeh S, Milani Hosseini S
Sci Rep
. 2023 Jul;
13(1):12111.
PMID: 37495673
The molecularly imprinted polymers are artificial polymers that, during the synthesis, create specific sites for a definite purpose. These polymers due to their characteristics such as stability, easy of synthesis,...
6.
Rasouli S, Hashemianzadeh S, Moghbeli M
J Mol Graph Model
. 2022 Feb;
112:108140.
PMID: 35124458
Molecular dynamic behaviors of poly(N,N-diethylacrylamide) (PDEA) as well as its interfacial properties in water were studied measuring the polymer single chain in a dilute concentration regime via molecular dynamics simulation....
7.
Samani M, Hashemianzadeh S
J Mol Graph Model
. 2020 Sep;
101:107749.
PMID: 32966917
Effect of functionalization on stability, solubility, and plasmonic features of gold nanoparticle with the general formula of Au(SR) in water solvent has been studied in this work. Thiol functional groups...
8.
Sarhangi S, Waskasi M, Hashemianzadeh S, Matyushov D
J Phys Chem B
. 2019 Mar;
123(14):3135-3143.
PMID: 30888815
The dipolar susceptibility of interfacial water and the corresponding interface dielectric constant were calculated from numerical molecular dynamics simulations for neutral and charged states of buckminsterfullerene C. Dielectric constants in...
9.
Sarhangi S, Waskasi M, Hashemianzadeh S, Matyushov D
Phys Chem Chem Phys
. 2018 Oct;
20(42):27069-27081.
PMID: 30328845
Classical molecular dynamics simulations of the hydration thermodynamics, structure, and dynamics of water in hydration shells of charged buckminsterfullerenes are presented in this study. Charging of fullerenes leads to a...
10.
Mousavi S, Hashemianzadeh S
J Mol Model
. 2018 Aug;
24(9):252.
PMID: 30145721
In this study, molecular dynamics simulations have been used to investigate the behavior of the drug rivastigmine and its carrier so-called poly (n-butyl cyanoacrylate) in the encapsulation process. Polymer modeling,...