Author:
Alves Vinicius M.,Muratov Eugene,Fourches Denis,Strickland Judy,Kleinstreuer Nicole,Andrade Carolina H.,Tropsha Alexander
Cited by
61 articles.
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1. Spectroscopic clarifications, topological insights, Hirshfeld interactions, and quantum chemical computational analysis of antibacterial agent benzimidazolium picrate;Journal of Molecular Structure;2024-08
2. 2,4-dichloro-6-(1,4,5-triphenyl-1
H
-imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7);Molecular Physics;2024-05-13
3. Synthesis, Pharmacokinetic Profile, Anticancer Activity and Toxicity of the New Amides of Betulonic Acid—In Silico and In Vitro Study;International Journal of Molecular Sciences;2024-04-20
4. Synthesis, DFT, in-silico molecular docking, molecular dynamic simulation and ADMET studies of (Z)-2,6-bis(4-bromophenyl)-3,3-dimethyl-4-(2-(2,4,6-trichlorophenyl) hydrazono) piperidine derivatives against the SARS-CoV-2 main-protease;Zeitschrift für Physikalische Chemie;2024-03-05
5. Development of a hierarchical support vector regression-based in silico model for the prediction of the cysteine depletion in DPRA;Toxicology;2024-03