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Molecular Diversity|October 12, 2021
Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulationTushar Joshi, Priyanka Sharma, Shalini Mathpal, et al.
Molecular Diversity|October 16, 2021
Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approachDan Zhao, Lu Sun, Shijun Zhong
Molecular Diversity|October 18, 2021
Novel ocotillol-derived lactone derivatives: design, synthesis, bioactive evaluation, SARs and preliminary antibacterial mechanismZiyi Zhang, Xianming Zeng, Shengyu Zhang, et al.
Molecular Diversity|February 18, 2022
Computer simulations on oxidative stress-induced reactions in SARS-CoV-2 spike glycoprotein: a multi-scale approachOscar Bertran, Didac Martí, Juan Torras, et al.
Molecular Diversity|March 10, 2022
NaH-promoted one-pot synthesis of 5-amidoimidazoles from arylamines, carbon disulfide and isocyanidesJie Luo, Yichan Zhang, Qiuxia Yan, et al.
Molecular Diversity|January 26, 2022
Anticonvulsant activity, molecular modeling and synthesis of spirooxindole-4H-pyran derivatives using a novel reusable organocatalystLeila Emami, Leila Moezi, Leila Amiri-Zirtol, et al.
Molecular Diversity|March 5, 2022
Survey reaction of 2-amino-N-(aryl) benzimidamides with ninhydrin in different conditions and investigation of reaction mechanism using density functional theory (DFT)Ali Darehkordi, Marziyeh Mohammadi, Kobra Sayyahi, et al.
Molecular Diversity|September 23, 2021
Discovery, synthesis and in combo studies of Schiff's bases as promising dipeptidyl peptidase-IV inhibitorsReema Abu Khalaf, Maha Awad, Luay Al-Essa, et al.
Molecular Diversity|September 23, 2021
Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK-HER2 and VEGFR2 receptors, by in silico approachDipayan Paul, Saurov Mahanta, Hui Tag, et al.
Molecular Diversity|May 8, 2019
New porphyrins: synthesis, characterization, and computational studiesAli Reza Oveisi, Pouya Karimi, Hojat Samareh Delarami, et al.
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