Qiaole He

机构：University of Nottingham Ningbo China · ORCID：0000-0002-6918-2813

发表论文 36 篇 · 总被引 448 次 · h-index 14

代表论文

• A General Picture of Cucurbit[8]uril Host–Guest Binding (2021 · Journal of Chemical Information and Modeling · 被引 70)
• Adsorption behaviors and kinetics studies of chitooligosaccharides with specific degree of polymerization on a novel ion-exchange resin (2021 · Chemical Engineering Journal · 被引 43)
• SAMPL6 host–guest binding affinities and binding poses from spherical-coordinates-biased simulations (2020 · Journal of Computer-Aided Molecular Design · 被引 26)
• Bayesian inference based process design and uncertainty analysis of simulated moving bed chromatographic systems (2020 · Separation and Purification Technology · 被引 19)
• Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levels (2022 · Physical Chemistry Chemical Physics · 被引 18)
• A General Picture of Cucurbit[8]uril Host–Guest Binding: Recalibrating Bonded Interactions (2023 · Molecules · 被引 17)