Binquan Luan

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Topics

Molecular Dynamics Simulations

Carbon Nanotubes

Respiratory Syndrome Coronavirus

Angiotensin Converting Enzyme

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Yuanbin Zhang, Yan Han, Binquan Luan, Lingyao Wang, Wenlei Yang, Yunjia Jiang, Teng Ben, Yabing He, Banglin Chen
Metal-Organic Framework with Space-Partition Pores by Fluorinated Anions for Benchmark C 2 H 2 /CO 2 Separation. Journal of the American Chemical Society 146 (25) (2024)
Binquan Luan, James L McDonagh
Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO 2 in amine solvents. Physical chemistry chemical physics : PCCP (2024)
Yuanbin Zhang, Yan Han, Binquan Luan, Lingyao Wang, Wenlei Yang, Yunjia Jiang, Teng Ben, Yabing He, Banglin Chen
Metal-Organic Framework with Space-Partition Pores by Fluorinated Anions for Benchmark C 2 H 2 /CO 2 Separation. Journal of the American Chemical Society (2024)
Binquan Luan, James L McDonagh
Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO 2 in amine solvents. Physical chemistry chemical physics : PCCP 26 (4) (2024)
Felipe L Oliveira, Binquan Luan, Pierre M Esteves, Mathias Steiner, Rodrigo F Neumann
pyMSER─An Open-Source Library for Automatic Equilibration Detection in Molecular Simulations. Journal of chemical theory and computation (2024)
Bowen Zheng, Felipe Lopes Oliveira, Rodrigo F Neumann, Mathias Steiner, Hendrik Hamann, Grace X Gu, Binquan Luan
Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO 2 's Chemisorption and Diffusion in Mg-MOF-74. ACS nano (2023)
Shuming Zeng, Tian Wang, Yuanbin Zhang, Bruce G Elmegreen, Binquan Luan, Zonglin Gu
Highly Efficient CO 2 /C 2 H 2 Separation by Porous Graphene via Quadrupole Gating Mechanism. Langmuir : the ACS journal of surfaces and colloids (2023)
Sizhe Liu, Binquan Luan
Benchmarking various types of partial atomic charges for classical all-atom simulations of metal-organic frameworks. Nanoscale 14 (26) (2022)
Binquan Luan, Bruce Elmegreen, Marcelo A Kuroda, Zonglin Gu, Guojun Lin, Shuming Zeng
Crown Nanopores in Graphene for CO 2 Capture and Filtration. ACS nano 16 (4) (2022)
Binquan Luan, Tien Huynh
Insights into SARS-CoV-2's Mutations for Evading Human Antibodies: Sacrifice and Survival. Journal of medicinal chemistry (2021)
Binquan Luan, Tien Huynh
Crystal-structures-guided design of fragment-based drugs for inhibiting the main protease of SARS-CoV-2. Proteins (2021)
Binquan Luan, Haoran Wang, Tien Huynh
Enhanced binding of the N501Y-mutated SARS-CoV-2 spike protein to the human ACE2 receptor: insights from molecular dynamics simulations. FEBS letters 595 (10) (2021)
Hashem Mohammad, Busra Demir, Caglanaz Akin Gultakti, Binquan Luan, Joshua Hihath, Ersin Emre Oren, M P Anantram
Role of intercalation in the electrical properties of nucleic acids for use in molecular electronics. Nanoscale horizons 6 (8) (2021)
Shufeng Liu, Tien Huynh, Charles B Stauft, Tony T Wang, Binquan Luan
Structure-Function Analysis of Resistance to Bamlanivimab by SARS-CoV-2 Variants Kappa, Delta, and Lambda. Journal of chemical information and modeling 61 (10) (2021)
Miraslau L Barabash, William A T Gibby, Carlo Guardiani, Dmitry G Luchinsky, Binquan Luan, Alex Smolyanitsky, Peter V E McClintock
Field-Dependent Dehydration and Optimal Ionic Escape Paths for C2N Membranes. The journal of physical chemistry. B 125 (25) (2021)
Binquan Luan, Tien Huynh
In Silico Antibody Mutagenesis for Optimizing Its Binding to Spike Protein of Severe Acute Respiratory Syndrome Coronavirus 2. The journal of physical chemistry letters 11 (22) (2020)
Binquan Luan, Shengfeng Cheng
Potential interference with microtubule assembly by graphene: a tug-of-war. Nanoscale 12 (8) (2020)
Tien Huynh, Haoran Wang, Binquan Luan
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease. The journal of physical chemistry letters 11 (11) (2020)
Binquan Luan, Tien Huynh, Xuemei Cheng, Ganhui Lan, Hao-Ran Wang
Targeting Proteases for Treating COVID-19. Journal of proteome research 19 (11) (2020)
Binquan Luan, Marcelo A Kuroda
Electrophoretic Transport of Single-Stranded DNA through a Two Dimensional Nanopore Patterned on an In-Plane Heterostructure. ACS nano 14 (10) (2020)
Leili Zhang, Binquan Luan, Ruhong Zhou
Parameterization of Molybdenum Disulfide Interacting with Water Using the Free Energy Perturbation Method. The journal of physical chemistry. B 123 (34) (2019)
Leili Zhang, David R Bell, Binquan Luan, Ruhong Zhou
Exploring the binding mechanism between human profilin (PFN1) and polyproline-10 through binding mode screening. The Journal of chemical physics 150 (1) (2019)
Binquan Luan, Guangxue Xu, Mei Feng, Le Cong, Ruhong Zhou
Combined Computational-Experimental Approach to Explore the Molecular Mechanism of SaCas9 with a Broadened DNA Targeting Range. Journal of the American Chemical Society 141 (16) (2019)
Binquan Luan, Ruhong Zhou
Atomic-Scale Fluidic Diodes Based on Triangular Nanopores in Bilayer Hexagonal Boron Nitride. Nano letters 19 (2) (2019)
Binquan Luan, Ruhong Zhou
Single-File Protein Translocations through Graphene-MoS2 Heterostructure Nanopores. The journal of physical chemistry letters 9 (12) (2018)
Hongsuk Kang, Binquan Luan, Ruhong Zhou
Glassy dynamics in mutant huntingtin proteins. The Journal of chemical physics 149 (7) (2018)
Kai Tian, Xiaowei Chen, Binquan Luan, Prashant Singh, Zhiyu Yang, Kent S Gates, Mengshi Lin, Azlin Mustapha, Li-Qun Gu
Single Locked Nucleic Acid-Enhanced Nanopore Genetic Discrimination of Pathogenic Serotypes and Cancer Driver Mutations. ACS nano 12 (5) (2018)
Binquan Luan, Ruhong Zhou
Spontaneous Transport of Single-Stranded DNA through Graphene-MoS2 Heterostructure Nanopores. ACS nano 12 (4) (2018)
Binquan Luan, Shuo Zhou, Deqiang Wang, Ruhong Zhou
Detecting Interactions between Nanomaterials and Cell Membranes by Synthetic Nanopores. ACS nano 11 (12) (2017)