Publication: Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations
Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations
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Al-Wahaibi, L. H., Logalakshmi, T., Blacque, O., Percino, M. J., El-Emam, A. A., Thamotharan, S., & Hassan, M. H. (2025). Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations. Journal of Molecular Structure, 1348, 143504. https://doi.org/10.1016/j.molstruc.2025.143504
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Al-Wahaibi, L. H., Logalakshmi, T., Blacque, O., Percino, M. J., El-Emam, A. A., Thamotharan, S., & Hassan, M. H. (2025). Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations. Journal of Molecular Structure, 1348, 143504. https://doi.org/10.1016/j.molstruc.2025.143504
