These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
149 related articles for article (PubMed ID: 37836701)
1. Integrated Structural, Functional, and ADMET Analysis of 2-Methoxy-4,6-diphenylnicotinonitrile: The Convergence of X-ray Diffraction, Molecular Docking, Dynamic Simulations, and Advanced Computational Insights. Bakheit AH; Alkahtani HM Molecules; 2023 Sep; 28(19):. PubMed ID: 37836701 [TBL] [Abstract][Full Text] [Related]
2. A Competition between Hydrogen, Stacking, and Halogen Bonding in Gouda M; Ferjani H; Abd El-Lateef HM; Khalaf MM; Shaaban S; Yousef TA Int J Mol Sci; 2022 Feb; 23(5):. PubMed ID: 35269858 [No Abstract] [Full Text] [Related]
3. Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromo-phen-yl)imidazo[1,2- Khamees HA; Chaluvaiah K; El-Khatatneh NA; Swamynayaka A; Chong KH; Dasappa JP; Madegowda M Acta Crystallogr E Crystallogr Commun; 2019 Nov; 75(Pt 11):1620-1626. PubMed ID: 31709079 [TBL] [Abstract][Full Text] [Related]
4. Unexpected kinetically controlled organoselenium-based isomaleimide: X-ray structure, hirshfeld surface analysis, 3D energy framework approach, and density functional theory calculation. Shaaban S; Ferjani H; Abd El-Lateef HM; Khalaf MM; Gouda M; Alaasar M; Yousef TA Front Chem; 2022; 10():961787. PubMed ID: 35991613 [TBL] [Abstract][Full Text] [Related]
5. Synthesis, molecular docking, and in silico ADMET studies of 4-benzyl-1-(2,4,6-trimethyl-benzyl)-piperidine: Potential Inhibitor of SARS-CoV2. Nandini Asha R; Ravindran Durai Nayagam B; Bhuvanesh N Bioorg Chem; 2021 Jul; 112():104967. PubMed ID: 33975232 [TBL] [Abstract][Full Text] [Related]
6. A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity. Missioui M; Said MA; Demirtaş G; Mague JT; Al-Sulami A; Al-Kaff NS; Ramli Y Arab J Chem; 2022 Feb; 15(2):103595. PubMed ID: 34909067 [TBL] [Abstract][Full Text] [Related]
7. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide. Mahmoudi G; Abedi M; Lawrence SE; Zangrando E; Babashkina MG; Klein A; Frontera A; Safin DA Molecules; 2020 Sep; 25(18):. PubMed ID: 32899863 [TBL] [Abstract][Full Text] [Related]
8. Density functional theory studies on properties of cluster Co Wang ZY; Fang ZG; Liu LE; Wu TH J Mol Model; 2023 Sep; 29(10):326. PubMed ID: 37770669 [TBL] [Abstract][Full Text] [Related]
16. Studying the Biological Activity of Trans-[Cu (quin)2(EtOH)2] as Potent Antimicrobial Cu(II) Complex through Computational Investigations: DFT, ADMET and Molecular Docking. Hussein RK; El-Khayatt AM; Duaij OKA; Alkaoud AM Front Biosci (Landmark Ed); 2023 Apr; 28(4):84. PubMed ID: 37114549 [TBL] [Abstract][Full Text] [Related]
17. Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds - an experimental and theoretical study. Preda AM; Krasowska M; Wrobel L; Kitschke P; Andrews PC; MacLellan JG; Mertens L; Korb M; Rüffer T; Lang H; Auer AA; Mehring M Beilstein J Org Chem; 2018; 14():2125-2145. PubMed ID: 30202466 [TBL] [Abstract][Full Text] [Related]
18. New Insight into the Pharmacological Importance of Atropine as the Potential Inhibitor of AKR1B1 via Detailed Computational Investigations: DFTs, ADMET, Molecular Docking, and Molecular Dynamics Studies. Ejaz SA; Aziz M; Ahmed A; Alotaibi SS; Albogami SM; Siddique F; Batiha GE Appl Biochem Biotechnol; 2023 Aug; 195(8):5136-5157. PubMed ID: 36847982 [TBL] [Abstract][Full Text] [Related]
19. Ligand based pharmacophoric modelling and docking of bioactive pyrazolium 3-nitrophthalate (P3NP) on Bacillus subtilis, Aspergillus fumigatus and Aspergillus niger - Computational and Hirshfeld surface analysis. Balachandar S; Sethuram M; Muthuraja P; Shanmugavadivu T; Dhandapani M J Photochem Photobiol B; 2016 Oct; 163():352-65. PubMed ID: 27614246 [TBL] [Abstract][Full Text] [Related]
20. Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer). Kumar M; Jaiswar G; Afzal M; Muddassir M; Alarifi A; Fatima A; Siddiqui N; Ayub R; Abduh NAY; Saeed WS; Javed S Molecules; 2023 Feb; 28(5):. PubMed ID: 36903362 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]