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Computer Simulation for Effective Pharmaceutical Kinetics and Dynamics: A Review
Tiwari G., Shukla A., Singh A., Tiwari R.
Hibiscus sabdariffa Linn. Extract Increases the mRNA Expression of the Arcuate Nucleus Leptin Receptor and is Predicted in silico as an Anti-obesity Agent
Kartinah N., Anggraini S., Fadilah F., Rickie R.
Computational Insight into the Mechanism of Action of DNA Gyrase Inhibitors; Revealing a New Mechanism
Muhammed M., Aki-Yalcin E.
Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors
Zhong Q., Qin J., Zhao K., Guo L., Li D.
Graph Convolutional Capsule Regression (GCCR): A Model for Accelerated Filtering of Novel Potential Candidates for SARS-CoV-2 based on Binding Affinity
Krishnan A., Vinod D.
Advances in Drug Discovery and Design using Computer-aided Molecular Modeling
Singh K., Bhushan B., Singh B.
Virtual Screening of Flavonoids against Plasmodium vivax Duffy Binding Protein Utilizing Molecular Docking and Molecular Dynamic Simulation
Yasir M., Park J., Han E., Park W., Han J., Kwon Y., Lee H., Chun W.
Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis
Lian X., Fan K., Qin X., Liu Y.
Design, In silico Screening, Synthesis, Characterisation and DFT-based Electronic Properties of Dihydropyridine-based Molecule as L-type Calcium Channel Blocker
Karmakar S., Basak H., Paswan U., Saha S., Mandal S., Chatterjee A.
Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsule in the Treatment of Depression through Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
Liu Z., Huang H., Yu Y., Jia Y., Li L., Shi X., Wang F.
Exploring the Molecular Mechanism of Niuxi-Mugua Formula in Treating Coronavirus Disease 2019 via Network Pharmacology, Computational Biology, and Surface Plasmon Resonance Verification
Wang W., Cao X., Cao Y., Liu L., Zhang S., Qi W., Zhang J., Yang X., Li X., Zao X., Ye Y.
Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β
Sai Varshini M., Aishwarya Reddy R., Thaggikuppe Krishnamurthy P., Selvaraj D.
Designing a Multi-epitope Vaccine against the SARS-CoV-2 Variant based on an Immunoinformatics Approach
Farhani I., Yamchi A., Madanchi H., Khazaei V., Behrouzikhah M., Abbasi H., Salehi M., Moradi N., Sanami S.
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