- Publication
- Mar 9, 2023
The Global Characterisation of a Drug-Dendrimer Conjugate – PEGylated poly-lysine Dendrimer
Nadim Akhtar, et al. Journal of Pharmaceutical Sciences, 2022, 112(3), 844-858- Publication
- Mar 9, 2023
Molecular modeling and in vitro studies to assess solubility enhancement of nevirapine by solid dispersion technique
Monica Raghavendra Prasad Rao, et al. Journal of Molecular Structure, 2022, 1273, 134373- Publication
- Mar 9, 2023
Drug-Carrier Miscibility in Solid Dispersions of Glibenclamide and a Novel Approach to Enhance Its Solubility Using an Effervescent Agent
Muralidhar Pisay, et al. AAPS PharmSciTech, 2022, 23(284)- Publication
- Mar 8, 2023
Rheological behavior and molecular dynamics simulation of ‘-carrageenan/casein under simulated gastrointestinal electrolyte conditions
Juanjuan Guo, et al. Food Hydrocolloids, 2022, 136(A), 108240- Publication
- Mar 8, 2023
Pyrene-based chalcones as functional materials for organic electronics application
Sneha Kagatikar, et al. Materials Chemistry and Physics, 2022, 293, 126839- Publication
- Mar 7, 2023
Ion Diffusion through Nanocellulose Membranes: Molecular Dynamics Study
Mohit Garg and Igor Zozoulenko, ACS Applied Bio Materials, 2021, 4(12), 8301-8308- Publication
- Mar 7, 2023
Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR
Marcelo T. de Oliveira, et al. Journal of Chemical Theory and Computation, 2021, 17(11), 6876-6885- Publication
- Mar 7, 2023
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network
Xiaowei Xie, et al. Journal of the American Chemical Society, 2021, 143(33), 13245-13258- Publication
- Sep 26, 2022
Prediction of self-diffusion coefficients of chemically diverse pure liquids by all-atom molecular dynamics simulations
Hiromi Baba, et al. Journal of Computational Chemistry, 2022, 43(28), 1892-1900- Publication
- Sep 26, 2022
Molecular Dynamics Prediction of the Solubility of Paracetamol in Polyethylene Glycol- Polylactide Copolymer Formulations
Isaac D. Tegladza and Victus Kordorwu, Journal of Chemistry Studies, 2022, 1(2), 9-16- Publication
- Sep 26, 2022
Machine learning and semi-empirical calculations: a synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction
Elliot H. E. Farrar and Matthew N. Grayson, Chem Sci, 2022, 13, 7594-7603- Publication
- Sep 26, 2022
Noncovalent Interactions in the Oxazaborolidine-Catalyzed Enantioselective Mukaiyama Aldol
Elliot H. E. Farrar and Matthew N. Grayson, The Journal of Organic Chemistry, 2022, 87(15), 10054-10061
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