Benchmarking various types of partial atomic charges for classical all-atom simulations of metal-organic frameworks
- Sizhe Liu
- Binquan Luan
- 2022
- Nanoscale
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Crown Nanopores in Graphene for CO2Capture and Filtration
- Binquan Luan
- Bruce Elmegreen
- et al.
- 2022
- ACS Nano
Stable Cell Clones Harboring Self-Replicating SARS-CoV-2 RNAs for Drug Screen
- Shufeng Liu
- Chao-Kai Chou
- et al.
- 2022
- Journal of Virology
Crystal-structures-guided design of fragment-based drugs for inhibiting the main protease of SARS-CoV-2
- Binquan Luan
- Tien Huynh
- 2021
- Proteins
Structure-Function Analysis of Resistance to Bamlanivimab by SARS-CoV-2 Variants Kappa, Delta, and Lambda
- Shufeng Liu
- Tien Huynh
- et al.
- 2021
- J. Chem. Inf. Model.
Nanopores in Atomically Thin 2D Nanosheets Limit Aqueous Single-Stranded DNA Transport
- Alex Smolyanitsky
- Binquan Luan
- 2021
- Physical Review Letters
Role of intercalation in the electrical properties of nucleic acids for use in molecular electronics
- Hashem Mohammad
- Busra Demir
- et al.
- 2021
- Nanoscale Horizons
Field-Dependent Dehydration and Optimal Ionic Escape Paths for C2N Membranes
- Miraslau L. Barabash
- William A. T. Gibby
- et al.
- 2021
- Journal of Physical Chemistry B
Friction and Plasticity in Contacts Between Amorphous Solids
- Binquan Luan
- Mark O. Robbins
- 2021
- Tribology Letters
Insights into SARS-CoV-2's Mutations for Evading Human Antibodies: Sacrifice and Survival
- Binquan Luan
- Tien Huynh
- 2021
- Journal of Medicinal Chemistry