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Journal of Molecular Graphics & Modelling|August 26, 2019
Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticusGunjan Saini, Vikram Dalal, Brajesh Kumar Savita, et al.
Journal of Molecular Graphics & Modelling|August 19, 2019
Carbon dioxide adsorption on a modified zeolite with sodium dodecyl sulfate surfactants: A molecular dynamics studyMinerva Valencia-Ortega, Raúl Fuentes-Azcatl, Hector Dominguez
Journal of Molecular Graphics & Modelling|October 4, 2022
Analysis of the microscopic interactions between processed Polygonatum cyrtonema polysaccharides and waterJun Liu, Changzhou Chen, Wenfeng Tu, et al.
Journal of Molecular Graphics & Modelling|October 6, 2022
Understanding the performance of graphdiyne membrane for the separation of nitrate ions from aqueous solution at the atomistic scaleSima Majidi, Hamid Erfan-Niya, Jafar Azamat, et al.
Journal of Molecular Graphics & Modelling|October 1, 2022
Cellulose Iβ microfibril interaction with pristine graphene in water: Effects of amphiphilicity by molecular simulationLinghan Kong, Rasha Alqus, Chin W Yong, et al.
Journal of Molecular Graphics & Modelling|October 8, 2022
Systematic DFT studies of CO-Tolerance and CO oxidation on Cu-doped Ni surfacesMahmoud A Hefnawy, Sahar A Fadlallah, Rabab M El-Sherif, et al.
Journal of Molecular Graphics & Modelling|October 8, 2022
Computational analysis of natural product B-Raf inhibitorsSumiran Chettri, Pujan Sasmal, Tenzin Adon, et al.
Journal of Molecular Graphics & Modelling|October 7, 2019
Lawsone isomers, lawsone ether and bilawsone for dye-sensitized solar cells applications: DFT and UV-Vis studiesAmosi Makoye, Alexander Pogrebnoi, Tatiana Pogrebnaya
Journal of Molecular Graphics & Modelling|February 6, 2021
Assessment of O-H⋯O and O-H⋯S intramolecular hydrogen bond energies in some substituted pyrimidines using quantum chemistry methodsPouya Karimi, Mahmood Sanchooli, Motahareh Kiyanee-Ghaleno
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