Molecular dynamics simulations of heterogeneous hydrogen bond environment in hydrophobic deep eutectic solvents UL Abbas, Q Qiao, MT Nguyen, J Shi, Q Shao AIChE Journal 68 (1), e17382, 2022 | 26 | 2022 |
Structure and hydrogen bonds of hydrophobic deep eutectic solvent‐aqueous liquid–liquid interfaces UL Abbas, Q Qiao, MT Nguyen, J Shi, Q Shao AIChE Journal 67 (12), e17427, 2021 | 14 | 2021 |
Effectiveness of Simulations on Well Control during HPHT well drilling IM Auwalu, IZ Zahra, MB Adamu, AL Usman, AD Sulaiman SPE Nigeria Annual International Conference and Exhibition, SPE-178281-MS, 2015 | 11 | 2015 |
Lignin derived hydrophobic deep eutectic solvents as sustainable extractants Y Zhang, Q Qiao, UL Abbas, J Liu, Y Zheng, C Jones, Q Shao, J Shi Journal of Cleaner Production 388, 135808, 2023 | 8 | 2023 |
S-PLM: Structure-aware Protein Language Model via Contrastive Learning between Sequence and Structure D Wang, M Pourmirzaei, UL Abbas, S Zeng, N Manshour, F Esmaili, ... bioRxiv, 2023.08. 06.552203, 2023 | 5 | 2023 |
Assessing Fairness of AlphaFold2 Prediction of Protein 3D Structures UL Abbas, J Chen, Q Shao Proceedings of the 14th ACM International Conference on Bioinformatics …, 2023 | 3 | 2023 |
Distinct effects of zwitterionic molecules on ionic solvation in (ethylene oxide) 10: a molecular dynamics simulation study MT Nguyen, UL Abbas, Q Qi, Q Shao Physical Chemistry Chemical Physics 25 (11), 8180-8189, 2023 | 2 | 2023 |
Deciphering Hydrogen Bond Features to Develop Machine Learning Models for Predicting Non-ionic Deep Eutectic Solvents U Abbas, Y Zhang, J Tapia, S Md, J Chen, J Shi, Q Shao | | 2023 |
Molecular Simulation Study of Deep Eutectic Solvent-Water Liquid-Liquid Interfaces U Abbas, Q Shao 2021 AIChE Annual Meeting, 2021 | | 2021 |
Molecular Dynamics Simulations of Liquid-Liquid Interfacial Properties between Water and Hydrophobic Deep Eutectic Solvents U Abbas, Q Shao 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |