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1.
Adenine-Based Zn(II)/Cd(II) Metal-Organic Frameworks as Efficient Heterogeneous Catalysts for Facile CO2 Fixation into Cyclic Carbonates: A DFT-Supported Study of the Reaction Mechanism.
Inorg Chem
; 58(17): 11389-11403, 2019 Sep 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-31433625
2.
Synthesis of new chromeno-carbamodithioate derivatives and preliminary evaluation of their antioxidant activity and molecular docking studies.
Bioorg Med Chem Lett
; 27(5): 1256-1260, 2017 03 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-28153358
3.
Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studies.
J Biomol Struct Dyn
; 42(6): 2793-2808, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-37184132
4.
Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine.
ACS Omega
; 9(1): 994-1000, 2024 Jan 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38222596
5.
Computer simulation approach to the identification of visfatin-derived angiogenic peptides.
PLoS One
; 18(6): e0287577, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37384629
6.
A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of S. epidermidis TcaR Inhibitors.
Pharmaceuticals (Basel)
; 15(5)2022 May 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35631461
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