User profiles for Binquan Luan
 | Binquan LuanIBM Research Verified email at us.ibm.com Cited by 6198 |
Enhanced binding of the N501Y‐mutated SARS‐CoV‐2 spike protein to the human ACE2 receptor: insights from molecular dynamics simulations
Recently, severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) variants (B.1.1.7
and B.1351) have emerged harbouring mutations that make them highly contagious. The …
and B.1351) have emerged harbouring mutations that make them highly contagious. The …
Potential Toxicity of Graphene to Cell Functions via Disrupting Protein–Protein Interactions
While carbon-based nanomaterials such as graphene and carbon nanotubes (CNTs) have
become popular in state-of-the-art nanotechnology, their biological safety and underlying …
become popular in state-of-the-art nanotechnology, their biological safety and underlying …
Slowing and controlling the translocation of DNA in a solid-state nanopore
DNA sequencing methods based on nanopores could potentially represent a low-cost and
high-throughput pathway to practical genomics, by replacing current sequencing methods …
high-throughput pathway to practical genomics, by replacing current sequencing methods …
Targeting proteases for treating COVID-19
The unprecedented pandemic of coronavirus disease 2019 (COVID-19) demands effective
treatment for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. The …
treatment for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. The …
The breakdown of continuum models for mechanical contacts
B Luan, MO Robbins - Nature, 2005 - nature.com
Forces acting within the area of atomic contact between surfaces play a central role in friction
and adhesion. Such forces are traditionally calculated using continuum contact mechanics …
and adhesion. Such forces are traditionally calculated using continuum contact mechanics …
Understanding interactions between biomolecules and two-dimensional nanomaterials using in silico microscopes
Two-dimensional (2D) nanomaterials such as graphene are increasingly used in research
and industry for various biomedical applications. Extensive experimental and theoretical …
and industry for various biomedical applications. Extensive experimental and theoretical …
[HTML][HTML] Benchmark single-step ethylene purification from ternary mixtures by a customized fluorinated anion-embedded MOF
Ethylene (C 2 H 4 ) purification from multi-component mixtures by physical adsorption is a
great challenge in the chemical industry. Herein, we report a GeF 6 2- anion embedded MOF (…
great challenge in the chemical industry. Herein, we report a GeF 6 2- anion embedded MOF (…
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease
Currently, the new coronavirus disease 2019 (COVID-19) is a global pandemic without any
well-calibrated treatment. To inactivate the SARS-CoV-2 virus that causes COVID-19, the …
well-calibrated treatment. To inactivate the SARS-CoV-2 virus that causes COVID-19, the …
Topological design of unprecedented metal‐organic frameworks featuring multiple anion functionalities and hierarchical porosity for benchmark acetylene separation
Separation of acetylene (C 2 H 2 ) from carbon dioxide (CO 2 ) or ethylene (C 2 H 4 ) is
industrially important but still challenging so far. Herein, we developed two novel robust metal …
industrially important but still challenging so far. Herein, we developed two novel robust metal …
Contact of single asperities with varying adhesion: comparing continuum mechanics to atomistic simulations
B Luan, MO Robbins - Physical Review E, 2006 - APS
Atomistic simulations are used to test the equations of continuum contact mechanics in
nanometer scale contacts. Nominally spherical tips, made by bending crystals or cutting …
nanometer scale contacts. Nominally spherical tips, made by bending crystals or cutting …