Binquan Luan  Binquan Luan photo         

contact information

Research Staff Member
Thomas J. Watson Research Center, Yorktown Heights, NY USA
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2020

Potential interference with microtubule assembly by graphene: a tug-of-war
Binquan Luan, Shengfeng Cheng
Nanoscale 12(8), 4968-4974, 2020
Abstract   nanosheet, graphene, nanomedicine, microtubule, cytotoxicity, nanotechnology, cancer cell, chemistry, microtubule assembly

In Silico Antibody Mutagenesis for Optimizing Its Binding to Spike Protein of Severe Acute Respiratory Syndrome Coronavirus 2
Binquan Luan, Tien Huynh
Journal of Physical Chemistry Letters 11(22), 9781-9787, 2020
Abstract   in silico, drug discovery, monoclonal antibody, antibody, glycoprotein, ligand, mutation, mutagenesis, virology, biology

Targeting Proteases for Treating COVID-19
Binquan Luan, Tien Huynh, Xuemei Cheng, Ganhui Lan, Hao-Ran Wang
Journal of Proteome Research 19(11), 4316-4326, 2020
Abstract   viral entry, proteases, viral protein, protease, virus, pathogenesis, virology, tmprss2, endogeny, medicine

Electrophoretic Transport of Single-Stranded DNA through a Two Dimensional Nanopore Patterned on an In-Plane Heterostructure
Binquan Luan, Marcelo A. Kuroda
ACS Nano 14(10), 13137-13145, 2020
Abstract   nanopore, graphene, fabrication, heterojunction, nanotechnology, materials science, electrophoresis, dna, in plane, solid state

Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2s main protease
Tien Huynh, Haoran Wang, Binquan Luan
Physical Chemistry Chemical Physics 22(43), 25335-25343, 2020
Abstract   docking, protease, rutin, in silico, lipinski s rule of five, protein domain, binding site, molecular docking simulation, biochemistry, chemistry

In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2s Main Protease
Tien Huynh, Haoran Wang, Binquan Luan
Journal of Physical Chemistry Letters 11(11), 4413-4420, 2020
Abstract   ligand, binding site, in silico, protease, nelfinavir, protein structure, virus, ligand, computational biology, chemistry


2019

Spontaneous ssDNA stretching on graphene and hexagonal boron nitride in plane heterostructures
Binquan Luan, Ruhong Zhou
Nature Communications 10(1), 2019
Abstract   graphene, persistence length, heterojunction, molecule, biasing, nanotechnology, planar, fabrication, dna, materials science

Parameterization of Molybdenum Disulfide Interacting with Water Using the Free Energy Perturbation Method
Leili Zhang, Binquan Luan, Ruhong Zhou
Journal of Physical Chemistry B 123(34), 7243-7252, 2019
Abstract   free energy perturbation, van der waals force, molybdenum disulfide, force field, water model, contact angle, parametrization, chemical physics, nanosheet, materials science

Atomic-Scale Fluidic Diodes Based on Triangular Nanopores in Bilayer Hexagonal Boron Nitride
Binquan Luan, Ruhong Zhou
Nano Letters 19(2), 977-982, 2019
Abstract   biasing, nanopore, bilayer, diode, atomic units, ionic bonding, conductance, fluidics, optoelectronics, materials science

Exploring the binding mechanism between human profilin (PFN1) and polyproline-10 through binding mode screening
Leili Zhang, David R Bell, Binquan Luan, Ruhong Zhou
Journal of Chemical Physics 150(1), 2019
Abstract   human interactome, umbrella sampling, molecular biophysics, molecular dynamics, potential of mean force, polyproline helix, molecular communication, docking, computational biology, physics

Combined Computational-Experimental Approach to Explore the Molecular Mechanism of SaCas9 with a Broadened DNA Targeting Range
Binquan Luan, Guangxue Xu, Mei Feng, Le Cong, Ruhong Zhou
Journal of the American Chemical Society 141(16), 6545-6552, 2019
Abstract   protospacer adjacent motif, crispr, cas9, mutant, computational biology, chemistry, dna targeting, molecular mechanism


2018

Single Locked Nucleic Acid-Enhanced Nanopore Genetic Discrimination of Pathogenic Serotypes and Cancer Driver Mutations
Kai Tian, Xiaowei Chen, Binquan Luan, Prashant Singh, Zhiyu Yang, Kent S. Gates, Mengshi Lin, Azlin Mustapha, Li-Qun Gu
ACS Nano 12(5), 4194-4205, 2018
Abstract   locked nucleic acid, oligonucleotide, nanopore, mutation, escherichia coli, dna, shiga toxin, mutant, computational biology, chemistry

Single-File Protein Translocations through Graphene-MoS2 Heterostructure Nanopores
Binquan Luan, Ruhong Zhou
Journal of Physical Chemistry Letters 9(12), 3409-3415, 2018
Abstract   nanopore, graphene, molecular dynamics, van der waals force, transport protein, molybdenum disulfide, molecule, heterojunction, chemical physics, materials science

Glassy dynamics in mutant huntingtin proteins
Hongsuk Kang, Binquan Luan, Ruhong Zhou
Journal of Chemical Physics 149(7), 2018
Abstract   huntingtin, protein structure, molecular biophysics, molecular dynamics, native state, exon, mutant, computational biology, chemistry, future studies

Spontaneous Transport of Single-Stranded DNA through Graphene-MoS2 Heterostructure Nanopores
Binquan Luan, Ruhong Zhou
ACS Nano 12(4), 3886-3891, 2018
Abstract   nanopore, graphene, molecule, molybdenum disulfide, molecular dynamics, nucleobase, dna, heterojunction, chemical physics, materials science


2017

Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials
Leili Zhang, Mei Feng, Ruhong Zhou, Binquan Luan
Nanotechnology 28(35), 354001, IOP Publishing, 2017

A novel self-activation mechanism of Candida antarctica lipase B
Binquan Luan, Ruhong Zhou
Physical Chemistry Chemical Physics 19(24), 15709-15714, 2017
Abstract   candida antarctica, protein structure, conformational change, protein engineering, molecular dynamics, catalysis, biocatalysis, stereochemistry, chemistry, lipase b

Molecular Mechanism of Stabilizing the Helical Structure of Huntingtin N17 in a Micellar Environment
Leili Zhang, Hongsuk Kang, Francisco X Vazquez, Leticia Toledo-Sherman, Binquan Luan, Ruhong Zhou
The Journal of Physical Chemistry B 121(18), 4713--4721, American Chemical Society, 2017

Detecting Interactions between Nanomaterials and Cell Membranes by Synthetic Nanopores
Binquan Luan, Shuo Zhou, Deqiang Wang, Ruhong Zhou
ACS Nano 11(12), 12615-12623, 2017
Abstract   nanotoxicology, membrane, nanopore, nanomaterials, nanosheet, endocytosis, biosensor, nanotechnology, lysis, materials science

Understanding the graphene quantum dots-ubiquitin interaction by identifying the interaction sites
Ge Fang, Binquan Luan, Cuicui Ge, Yu Chong, Xu Dong, Jun Guo, Chun Tang, Ruhong Zhou
Carbon121, 285-291, 2017
Abstract   protein degradation, surface plasmon resonance, graphene, nanomaterials, ubiquitin, quantum dot, molecular dynamics, circular dichroism, nanotechnology, chemistry

HumidityResponsive SingleNanoparticleLayer Plasmonic Films
Jianlei Shen, Binquan Luan, Hao Pei, Zaixing Yang, Xiaolei Zuo, Gang Liu, Jiye Shi, Lihua Wang, Ruhong Zhou, Wenlong Cheng, Chunhai Fan
Advanced Materials 29(35), 2017
Abstract   nanoparticle, plasmon, colloidal gold, nanotechnology, raman scattering, electric field, materials science, homogeneous, plasmonic coupling, plasmonic nanostructures

Graphene-Induced Pore Formation on Cell Membranes
Guangxin Duan, Yuanzhao Zhang, Binquan Luan, Jeffrey K. Weber, Royce W. Zhou, Zaixing Yang, Lin Zhao, Jiaying Xu, Judong Luo, Ruhong Zhou
Scientific Reports 7(1), 2017
Abstract   membrane, bilayer, graphene, nanomaterials, viability assay, molecular dynamics, cytotoxicity, biophysics, cell, chemistry

High-Curvature Nanostructuring Enhances Probe Display for Biomolecular Detection
Phil De Luna, Sahar S. Mahshid, Jagotamoy Das, Binquan Luan, Edward H. Sargent, Shana O. Kelley, Ruhong Zhou
Nano Letters 17(2), 1289-1295, 2017
Abstract   biosensor, hybridization probe, molecular dynamics, electrode, detection limit, molecule, analyte, chemical physics, dna dna hybridization, nanotechnology, materials science

PEGylated graphene oxide elicits strong immunological responses despite surface passivation
Nana Luo, Jeffrey K. Weber, Shuang Wang, Binquan Luan, Hua Yue, Xiaobo Xi, Jing Du, Zaixing Yang, Wei Wei, Ruhong Zhou, Guanghui Ma
Nature Communications 8(1), 14537-14537, 2017
Abstract   cytokine secretion, nanomaterials, signal transduction, integrin, cytokine, cell membrane, immune system, membrane, biophysics, nanotechnology, chemistry

Emerging -Sheet Rich Conformations in Supercompact Huntingtin Exon-1 Mutant Structures
Hongsuk Kang, Francisco X. Vazquez, Leili Zhang, Payel Das, Leticia Marisel Toledo-Sherman, Binquan Luan, Michael Levitt, Ruhong Zhou
Journal of the American Chemical Society 139(26), 8820-8827, 2017
Abstract   huntingtin protein, huntingtin, beta sheet, protein secondary structure, molecular dynamics, exon, mutant, hydrogen bond, biophysics, crystallography, chemistry


2016

Potential Interference of Protein-Protein Interactions by Graphyne
Binquan Luan, Tien Huynh, Ruhong Zhou
Journal of Physical Chemistry B 120(9), 2124-2131, 2016
Abstract   graphyne, protein protein interaction, molecular dynamics, hydrophobic effect, nanotechnology, chemistry, biological cell, hazard reduction, potential toxicity

Sequential protein unfolding through a carbon nanotube pore
Xu, Zhonghe and Zhang, Shuang and Weber, Jeffrey K and Luan, Binquan and Zhou, Ruhong and Li, Jingyuan
Nanoscale, Royal Society of Chemistry, 2016
Abstract

Opening Lids: Modulation of Lipase Immobilization by Graphene Oxides
MATHESH, Motilal and Luan, Binquan and Akanbi, Taiwo and Weber, Jeffrey K and Liu, Jingquan and Barrow, Colin J and Zhou, Ruhong and Yang, Wenrong
ACS Catalysis, ACS Publications, 2016
Abstract

Wettability and friction of water on a MoS2 nanosheet
Luan, Binquan and Zhou, Ruhong
Applied Physics Letters 108(13), 131601, AIP Publishing, 2016
Abstract

Potential disruption of protein-protein interactions by graphene oxide
Feng, Mei and Kang, Hongsuk and Yang, Zaixing and Luan, Binquan and Zhou, Ruhong
The Journal of Chemical Physics 144(22), 225102, AIP Publishing, 2016
Abstract

Mechanism of Divalent-Ion-Induced Charge Inversion of Bacterial Membranes
Luan, Binquan and Chen, Kai Loon and Zhou, Ruhong
The journal of physical chemistry letters 7(13), 2434--2438, ACS Publications, 2016
Abstract

Potential Interference of Protein--Protein Interactions by Graphyne
Luan, Binquan and Huynh, Tien and Zhou, Ruhong
The Journal of Physical Chemistry B 120(9), 2124--2131, ACS Publications, 2016
Abstract

Radial dependence of DNA translocation velocity in a solid-state nanopore
Luan, Binquan
Microchimica Acta 183(3), 995--1002, Springer, 2016
Abstract

Bio-nano interactions detected by nanochannel electrophoresis
Luan, Binquan
Electrophoresis 37(15-16), 2190--2195, Wiley Online Library, 2016
Abstract

DNA translocation through single-layer boron nitride nanopores
Gu, Zonglin and Zhang, Yuanzhao and Luan, Binquan and Zhou, Ruhong
Soft matter 12(3), 817--823, Royal Society of Chemistry, 2016
Abstract

Complete wetting of graphene by biological lipids
Binquan Luan, Tien Huynh, Ruhong Zhou
Nanoscale 8(10), 5750--5754, Royal Society of Chemistry, 2016


2015

Nanopore-Based Sensors for Ligand-Receptor Lead Optimization
Binquan Luan, Tien Huynh, Ruhong Zhou
Journal of Physical Chemistry Letters 6(3), 331-337, 2015
Abstract   drug design, drug discovery, nanopore, force spectroscopy, biosensor, target protein, molecular dynamics, nanotechnology, ligand, chemistry

Single Molecule Investigation of Ag+ Interactions with Single Cytosine-, Methylcytosine- and Hydroxymethylcytosine-Cytosine Mismatches in a Nanopore
Yong Wang, Bin-Quan Luan, Zhiyu Yang, Xinyue Zhang, Brandon Ritzo, Kent Gates, Li-Qun Gu
Scientific Reports 4(1), 5883-5883, 2015
Abstract   cytosine, nucleobase, a dna, nanopore, binding site, hydrogen bond, duplex, molecule, stereochemistry, chemistry, genetics

Potential toxicity of graphene to cell functions via disrupting protein-protein interactions
Binquan Luan, Tien Huynh, Lin Zhao, Ruhong Zhou
ACS Nano 9(1), 663-669, 2015
Abstract   nanosheet, graphene, carbon nanotube, protein protein interaction, nanomaterials, nanotoxicology, molecular dynamics, nanotechnology, carbon, materials science

Nanopore-Based Sensors for Ligand--Receptor Lead Optimization
Luan, Binquan and Huynh, Tien and Zhou, Ruhong
The journal of physical chemistry letters 6(3), 331--337, ACS Publications, 2015
Abstract

Revealing the importance of surface morphology of nanomaterials to biological responses: Adsorption of the villin headpiece onto graphene and phosphorene
Zhang, Wei and Huynh, Tien and Xiu, Peng and Zhou, Bo and Ye, Chao and Luan, Binquan and Zhou, Ruhong
Carbon94, 895--902, Elsevier, 2015
Abstract

Nanomechanics of Protein Unfolding Outside a Generic Nanopore
Luan, Binquan and Huynh, Tien and Li, Jingyuan and Zhou, Ruhong
ACS nano 10(1), 317--323, ACS Publications, 2015
Abstract

Numerically testing phenomenological models for conductance of a solid-state nanopore
Luan, Binquan
Nanotechnology 26(5), 055502, IOP Publishing, 2015
Abstract

Simplified TiO2 force fields for studies of its interaction with biomolecules
Binquan Luan, Tien Huynh, Ruhong Zhou
The Journal of chemical physics 142(23), 234102, AIP Publishing, 2015


2014

Single Molecule Investigations of the Interaction of Ag+ with Single Cytosine, Methylcytosine and Hydroxymethylcytosine-Cytosine Mismatches in a Nanopore
Yong Wang, BinQuan Luan, XinYue Zhang, Brandon Ritzo, Liqun Gu
Biophysical Journal 106(2), 2-5, 2014
Abstract   cytosine, nanopore, binding site, molecule, hydrogen bond, peptide, bisulfite sequencing, fluorescence, biophysics, chemistry

Controlling the motion of DNA in a nanochannel with transversal alternating electric voltages
Binquan Luan, Chao Wang, Ajay Royyuru, Gustavo Stolovitzky
Nanotechnology 25(26), 265101, IOP Publishing, 2014

Close encounters with DNA
C Maffeo, J Yoo, J Comer, DB Wells, B Luan, A Aksimentiev
J. Phys: Condens. Matter. 26(41), 413101, IOP Publishing, 2014

Potential toxicity of graphene to cell functions via disrupting protein--protein interactions
Luan, Binquan and Huynh, Tien and Zhao, Lin and Zhou, Ruhong
ACS nano 9(1), 663--669, ACS Publications, 2014
Abstract

Modeling of DnA Sequencing with Solid-State nanopores
Luan, Binquan and Fast, Too
Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology, 311, CRC Press, 2014
Abstract

Controlled transport of DNA through a Y-shaped carbon nanotube in a solid membrane
Luan, Binquan and Zhou, Bo and Huynh, Tien and Zhou, Ruhong
Nanoscale 6(19), 11479--11483, Royal Society of Chemistry, 2014
Abstract

Single molecule investigation of Ag+ interactions with single cytosine-, methylcytosine-and hydroxymethylcytosine-cytosine mismatches in a nanopore
Yong Wang, Bin-Quan Luan, Zhiyu Yang, Xinyue Zhang, Brandon Ritzo, Kent Gates, Li-Qun Gu
Scientific reports4, Nature Publishing Group, 2014

Fabrication of sub-20 nm nanopore arrays in membranes with embedded metal electrodes at wafer scales
Bai, Jingwei and Wang, Deqiang and Nam, Sung-wook and Peng, Hongbo and Bruce, Robert and Gignac, Lynn and Brink, Markus and Kratschmer, Ernst and Rossnagel, Stephen and Waggoner, Phil and others
Nanoscale 6(15), 8900--8906, Royal Society of Chemistry, 2014
Abstract

Regulating the transport of DNA through biofriendly nanochannels in a thin solid membrane
Deqiang Wang, Stefan Harrer, Binquan Luan, Gustavo Stolovitzky, Hongbo Peng, Ali Afzali-Ardakani
Scientific reports4, Nature Publishing Group, 2014


2013

Fabricatable nanopore sensors with an atomic thickness
Luan, Binquan and Bai, Jingwei and Stolovitzky, Gustavo
Applied Physics Letters 103(18), 183501, AIP Publishing, 2013
Abstract

An electro-hydrodynamics-based model for the ionic conductivity of solid-state nanopores during DNA translocation
Luan, Binquan and Stolovitzky, Gustavo
Nanotechnology 24(19), 195702, IOP Publishing, 2013
Abstract


2012

Characterizing Contact Friction Between DNA and a Chemically Modified Nanopore Surface
B. Luan, G. Stolovitzky
Biophysical Journal 102(3), 203a, Elsevier, 2012

Dynamics of DNA translocation in a solid-state nanopore immersed in aqueous glycerol
Luan, Binquan and Wang, Deqiang and Zhou, Ruhong and Harrer, Stefan and Peng, Hongbo and Stolovitzky, Gustavo
Nanotechnology 23(45), 455102, IOP Publishing, 2012
Abstract

Resistance drift in phase change memory
Li, Jing and Luan, Binquan and Lam, Chung
Reliability Physics Symposium (IRPS), 2012 IEEE International, pp. 6C--1
Abstract

Nanopore-based sensors for detecting toxicity of a carbon nanotube to proteins
Luan, Binquan and Zhou, Ruhong
The journal of physical chemistry letters 3(17), 2337--2341, ACS Publications, 2012
Abstract

End-to-end attraction of duplex DNA
Christopher Maffeo, Binquan Luan, Aleksei Aksimentiev
Nucleic acids research 40(9), 3812--3821, Oxford Univ Press, 2012

Slowing and controlling the translocation of DNA in a solid-state nanopore
B. Luan, G Stolovitzky, G Martyna
Nanoscale 4(4), 1068-1077, The Royal Society of Chemistry, 2012


2011

Explore physical origins of resistance drift in phase change memory and its implication for drift-insensitive materials
J Li ; B Luan ; Hsu, T.H. ; Zhu, Y. ; Martyna, G. ; Newns, D. ; Cheng, H.Y. ; Raoux, S. ; Lung, H. L. ; Lam, C.
Electron Devices Meeting (IEDM), 2011 IEEE International , pp. 12.5.1 - 12.5.4

Nanopore-Based DNA Sequencing and DNA Motion Control
H Peng, B Luan, G Stolovitzky
Nanopores: Sensing and Fundamental Biological Interactions; Iqbal, Samir M. and Bashir, Rashid (Eds.) , pp. 255, Springer Verlag, 2011

Characterizing and Controlling the Motion of ssDNA in a Solid-State Nanopore
B. Luan, G. Stolovitzky, H. Peng, S. Harrer, P. Waggoner, S. Polonsky, S. Rossnagel, and G. Martyna
Biophysical Journal 100(3), 168, Elsevier, 2011

Electrochemical Protection of Thin Film Electrodes in Solid State Nanopores
S. Harrer, P. S. Waggoner, B. Luan, A. Afzali-Ardakani, D. L. Goldfarb, H. Peng, G. Martyna, S. M. Rossnagel, G. A. Stolovitzky
Nanotechnology 22(27), 275304, IOP Publishing, 2011


2010

Contact and friction of nanoasperities: Effects of adsorbed monolayers
S Cheng, B Luan, M O Robbins
Physical Review E 81(1), 016102, APS, 2010


The effect of calcium on the conformation of cobalamin transporter BtuB
B Luan, R Carr, M Caffrey, A Aksimentiev
Proteins: Structure, Function, and Bioinformatics 78(5), 1153--1162, Wiley Online Library, 2010

Electrochemical Characterization of Thin Film Electrodes Toward Developing a DNA Transistor
S. Harrer, S. Ahmed, A. Afzali-Ardakani, B. Luan, P. S. Waggoner, X. Shao, H. Peng, D. L. Goldfarb, G. J Martyna, S. M. Rossnagel, L. Deligianni, G. A. Stolovitzky
Langmuir 26(24), 153103--153103, ACS Publications, 2010

Tribological Effects on DNA Translocation in a Nanochannel Coated with a Self-Assembled Monolayer
Binquan Luan, Ali Afzali, Stefan Harrer, Hongbo Peng, Philip Waggoner, Stas Polonsky, Gustavo Stolovitzky, Glenn Martyna
The Journal of Physical Chemistry B 114(51), 17172ÿ 17176, ACS Publications, 2010
Abstract

Base-By-Base Ratcheting of Single Stranded DNA through a Solid-State Nanopore
B Luan, H Peng, S Polonsky, S Rossnagel, G Stolovitzky, G Martyna
Physical Review Letters 104(23), 238103, APS, 2010
Abstract   Copyright (C) 2010 The American Physical SocietyPlease report any problems to prola@aps.orgPRL

Electric and electrophoretic inversion of the DNA charge in multivalent electrolytes
Binquan Luan, Aleksei Aksimentiev
Soft Matter 6(2), 243--246, Royal Society of Chemistry, 2010

Control and Reversal of the Electrophoretic Force on DNA in a Charged Nanopore
B Luan, A Aksimentiev
Journal of Physics: Condensed Matter22, 454123, IOP Publishing, 2010


2009

Effect of Valence and Concentration of Counterions on Electrophoretic Mobility of DNA in a Solid-State Nanopore
Binquan Luan, Aleksei Aksimentiev
Biophysical Journal 96(3), 2009
Abstract   nanopore, electrophoresis, dna, divalent, electrolyte, counterion, ion, molecular dynamics, biophysics, chemistry, chromatography

Hybrid atomistic/continuum study of contact and friction between rough solids
Binquan Luan, Mark O Robbins
Tribology Letters 36(1), 1--16, Springer, 2009


2008

DNA Attraction in Monovalent and Divalent Electrolytes
B Luan, A Aksimentiev
Journal of American Chemical Society, 2008

Strain Softening in Stretched DNA
B Luan, A Aksimentiev
Physics Review Letters, 2008


In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin
V Cherezov, W Liu, J Derrick, B Luan, A Aksimentiev, V Katritch, M Caffrey
Proteins: Structure, Function, and Bioinformatics, 2008


2007

Structure Refinement of the OpcA Adhesin Using Molecular Dynamics
B Luan, M Caffrey, A Aksimentiev
Biophysics Journal, 2007


2006

Multiscale modeling of two dimensional contacts
B Luan, S Hyun, J Molinari, N Bernstein, M Robbins
Physics Review E, 2006




2005

Multiscale modeling of two dimensional rough surface contacts
B Luan, S Hyun, MO Robbins, N Bernstein
Fundamentals of Nanoindentation and Nanotribology, 2005



2004

Effect of inertia and elasticity on stick-slip motion
B Luan, MO Robbins
Physics Review Letters, 2004


2001



2000

Evidence of Phase Separation in the Hubbard Model
B Luan, C Gong
Chinese Physics Letters, 2000