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Molecular Diversity|May 10, 2022
Molecular dynamic simulations reveal anti-SARS-CoV-2 activity of mitocurcumin by potentially blocking innate immune evasion proteins NSP3 and NSP16Debojyoti Pal, Rahul Checker, Vijay K Kutala, et al.
Molecular Diversity|May 10, 2022
Synthesis, spectral analysis, DFT calculations, biological potential and molecular docking studies of indole appended pyrazolo-triazineS M Basavarajaiah, G Y Nagesh, Mohammad Javeed, et al.
Molecular Diversity|July 9, 2021
Predicting HIV drug resistance using weighted machine learning method at target protein sequence-levelQihang Cai, Rongao Yuan, Jian He, et al.
Molecular Diversity|July 9, 2021
Hemagglutinin-esterase cannot be considered as a candidate for designing drug against COVID-19Milad Zandi, Saber Soltani
Molecular Diversity|June 3, 2021
New ursolic acid derivatives bearing 1,2,3-triazole moieties: design, synthesis and anti-inflammatory activity in vitro and in vivoTian-Yi Zhang, Chun-Shi Li, Li-Ting Cao, et al.
Molecular Diversity|June 4, 2021
Rapid synthetic approaches to libraries of diversified 1,2-dihydrochromeno[2,3-c]pyrrole-3,9-diones and 3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-onesRoman N Vydzhak, Svitlana Ya Panchishin, Maryna V Kachaeva, et al.
Molecular Diversity|June 25, 2021
New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approachHenrique S Fernandes, Sérgio F Sousa, Nuno M F S A Cerqueira
Molecular Diversity|June 28, 2021
Prospect of Anterior Gradient 2 homodimer inhibition via repurposing FDA-approved drugs using structure-based virtual screeningShafi Ullah, Shafi Ullah Khan, Abbas Khan, et al.
Molecular Diversity|June 19, 2021
QSAR modeling without descriptors using graph convolutional neural networks: the case of mutagenicity predictionChiakang Hung, Giuseppina Gini
Molecular Diversity|May 29, 2021
Synthesis of new 2-aminothiazolyl/benzothiazolyl-based 3,4-dihydropyrimidinones and evaluation of their effects on adenocarcinoma gastric cell migrationMohsen Sagha, Fatemeh Mousaei, Mahtab Salahi, et al.
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