Leili Zhang 
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Research Staff Member - Computational biologyThomas J. Watson Research Center, Yorktown Heights, NY USA +1
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2020
Dioxybenzone triggers enhanced estrogenic effect via metabolic activation: in silico, in vitro and in vivo investigation
Tingjie Zhan, Leili Zhang, Shixuan Cui, Weiping Liu, Ruhong Zhou, Shulin Zhuang
Environmental Pollution268, 115766, Elsevier, 2020
Tingjie Zhan, Leili Zhang, Shixuan Cui, Weiping Liu, Ruhong Zhou, Shulin Zhuang
Environmental Pollution268, 115766, Elsevier, 2020
Structural Basis of the Potential Binding Mechanism of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase
Leili Zhang, Ruhong Zhou
Journal of Physical Chemistry B 124(32), 6955-6962, 2020
Abstract rna dependent rna polymerase, polymerase, rna polymerase, rna, binding site, transcription, homology modeling, ligand, biochemistry, chemistry
Leili Zhang, Ruhong Zhou
Journal of Physical Chemistry B 124(32), 6955-6962, 2020
Abstract rna dependent rna polymerase, polymerase, rna polymerase, rna, binding site, transcription, homology modeling, ligand, biochemistry, chemistry
2019
Modeling and Structural Characterization of the Sweet Taste Receptor Heterodimer
Jose Manuel Perez-Aguilar, Seung-gu Kang, Leili Zhang, Ruhong Zhou
ACS Chemical Neuroscience 10(11), 4579--4592, American Chemical Society, 2019
Jose Manuel Perez-Aguilar, Seung-gu Kang, Leili Zhang, Ruhong Zhou
ACS Chemical Neuroscience 10(11), 4579--4592, American Chemical Society, 2019
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
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
Stability of Ligands on Nanoparticles Regulating the Integrity of Biological Membranes at the Nano-Lipid Interface
Liming Wang, Peiyu Quan, Serena H. Chen, Wei Bu, Yu Feng Li, Xiaochun Wu, Junguang Wu, Leili Zhang, Yuliang Zhao, Xiaoming Jiang, Binhua Lin, Ruhong Zhou, Chunying Chen
ACS Nano 13(8), 8680-8693, 2019
Abstract membrane, biological membrane, organelle, phospholipid, nanoparticle, coating, biophysics, ligand, programmed cell death, chemistry
Liming Wang, Peiyu Quan, Serena H. Chen, Wei Bu, Yu Feng Li, Xiaochun Wu, Junguang Wu, Leili Zhang, Yuliang Zhao, Xiaoming Jiang, Binhua Lin, Ruhong Zhou, Chunying Chen
ACS Nano 13(8), 8680-8693, 2019
Abstract membrane, biological membrane, organelle, phospholipid, nanoparticle, coating, biophysics, ligand, programmed cell death, chemistry
Robust Antibacterial Activity of Tungsten Oxide (WO3-x) Nanodots
Guangxin Duan, Lu Chen, Zhifeng Jing, Phil De Luna, Ling Wen, Leili Zhang, Lin Zhao, Jiaying Xu, Zhen Li, Zaixing Yang, Ruhong Zhou
Chemical Research in Toxicology 32(7), 1357-1366, 2019
Abstract antibacterial activity, nanodot, biocompatibility, photocatalysis, scanning electron microscope, membrane, escherichia coli, transmission electron microscopy, nuclear chemistry, chemistry
Guangxin Duan, Lu Chen, Zhifeng Jing, Phil De Luna, Ling Wen, Leili Zhang, Lin Zhao, Jiaying Xu, Zhen Li, Zaixing Yang, Ruhong Zhou
Chemical Research in Toxicology 32(7), 1357-1366, 2019
Abstract antibacterial activity, nanodot, biocompatibility, photocatalysis, scanning electron microscope, membrane, escherichia coli, transmission electron microscopy, nuclear chemistry, chemistry
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
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
2018
Binding Specificity Determines the Cytochrome P450 3A4 Mediated Enantioselective Metabolism of Metconazole
Shulin Zhuang, Leili Zhang, Tingjie Zhan, Liping Lu, Lu Zhao, Haifei Wang, Joseph A. Morrone, Weiping Liu, Ruhong Zhou
Journal of Physical Chemistry B 122(3), 1176-1184, 2018
Abstract
Shulin Zhuang, Leili Zhang, Tingjie Zhan, Liping Lu, Lu Zhao, Haifei Wang, Joseph A. Morrone, Weiping Liu, Ruhong Zhou
Journal of Physical Chemistry B 122(3), 1176-1184, 2018
Abstract
Lipid Corona Formation from Nanoparticle Interactions with Bilayers
Laura L. Olenick, Julianne M. Troiano, Ariane Vartanian, Eric S. Melby, Arielle C. Mensch, Leili Zhang, Jiewei Hong, Oluwaseun Mesele, Tian Qiu, Jared Bozich, Samuel Lohse, Xi Zhang, Thomas R. Kuech, Augusto Millevolte, Ian Gunsolus, Alicia C. McGeachy, Merve Dogangun, Tianzhe Li, Dehong Hu, Stephanie R. Walter, Aurash Mohaimani, Angela Schmoldt, Marco D. Torelli, Katherine R. Hurley, Joe Dalluge, Gene Chong, Z. Vivian Feng, Christy L. Haynes, Robert J. Hamers, Joel A. Pedersen, Qiang Cui, Rigoberto Hernand
Chem 4(11), 2709-2723, 2018
Abstract bilayer, lipid bilayer, membrane, biomolecule, nanoparticle, biophysics, chemistry, corona, active mixing, ion pairing
Laura L. Olenick, Julianne M. Troiano, Ariane Vartanian, Eric S. Melby, Arielle C. Mensch, Leili Zhang, Jiewei Hong, Oluwaseun Mesele, Tian Qiu, Jared Bozich, Samuel Lohse, Xi Zhang, Thomas R. Kuech, Augusto Millevolte, Ian Gunsolus, Alicia C. McGeachy, Merve Dogangun, Tianzhe Li, Dehong Hu, Stephanie R. Walter, Aurash Mohaimani, Angela Schmoldt, Marco D. Torelli, Katherine R. Hurley, Joe Dalluge, Gene Chong, Z. Vivian Feng, Christy L. Haynes, Robert J. Hamers, Joel A. Pedersen, Qiang Cui, Rigoberto Hernand
Chem 4(11), 2709-2723, 2018
Abstract bilayer, lipid bilayer, membrane, biomolecule, nanoparticle, biophysics, chemistry, corona, active mixing, ion pairing
2017
Lipid Corona Formation from Nanoparticle Interactions with Bilayers and Membrane-Specific Biological Outcomes
Laura L Olenick, Julianne M Troiano, Ariane Vartanian, Eric S Melby, Arielle C Mensch, Leili Zhang, Jiewei Hong, Tian Qiu, Jared Bozich, Samuel Lohse, others
2017
Laura L Olenick, Julianne M Troiano, Ariane Vartanian, Eric S Melby, Arielle C Mensch, Leili Zhang, Jiewei Hong, Tian Qiu, Jared Bozich, Samuel Lohse, others
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
Leili Zhang, Mei Feng, Ruhong Zhou, Binquan Luan
Nanotechnology 28(35), 354001, IOP Publishing, 2017
Emerging beta-Sheet Rich Conformations in Supercompact Huntingtin Exon-1 Mutant Structures
Hongsuk Kang, Francisco X Vazquez, Leili Zhang, Payel Das, Leticia Toledo-Sherman, Binquan Luan, Michael Levitt, Ruhong Zhou
Journal of the American Chemical Society 139(26), 8820--8827, American Chemical Society, 2017
Hongsuk Kang, Francisco X Vazquez, Leili Zhang, Payel Das, Leticia Toledo-Sherman, Binquan Luan, Michael Levitt, Ruhong Zhou
Journal of the American Chemical Society 139(26), 8820--8827, American Chemical Society, 2017
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
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
Graphene Oxide Nanosheets Retard Cellular Migration via Disruption of Actin Cytoskeleton
Xin Tian, Zaixing Yang, Guangxin Duan, Anqing Wu, Zonglin Gu, Leili Zhang, Chunying Chen, Zhifang Chai, Cuicui Ge, Ruhong Zhou
Small 13(3), 2017
Xin Tian, Zaixing Yang, Guangxin Duan, Anqing Wu, Zonglin Gu, Leili Zhang, Chunying Chen, Zhifang Chai, Cuicui Ge, Ruhong Zhou
Small 13(3), 2017
2016
Ionic hydrogen bonds and lipid packing defects determine the binding orientation and insertion depth of RecA on multicomponent lipid bilayers
Leili Zhang, Manohary Rajendram, Douglas B Weibel, Arun Yethiraj, Qiang Cui
The Journal of Physical Chemistry B 120(33), 8424--8437, American Chemical Society, 2016
Leili Zhang, Manohary Rajendram, Douglas B Weibel, Arun Yethiraj, Qiang Cui
The Journal of Physical Chemistry B 120(33), 8424--8437, American Chemical Society, 2016
Different states of synaptotagmin regulate evoked versus spontaneous release
Hua Bai, Renhao Xue, Huan Bao, Leili Zhang, Arun Yethiraj, Qiang Cui, Edwin R Chapman
Nature communications7, 10971, Nature Publishing Group, 2016
Hua Bai, Renhao Xue, Huan Bao, Leili Zhang, Arun Yethiraj, Qiang Cui, Edwin R Chapman
Nature communications7, 10971, Nature Publishing Group, 2016
2015
Anionic phospholipids stabilize RecA filament bundles in Escherichia coli
Manohary Rajendram, Leili Zhang, Bradley J Reynolds, George K Auer, Hannah H Tuson, Khanh V Ngo, Michael M Cox, Arun Yethiraj, Qiang Cui, Douglas B Weibel
Molecular cell 60(3), 374--384, Elsevier, 2015
Manohary Rajendram, Leili Zhang, Bradley J Reynolds, George K Auer, Hannah H Tuson, Khanh V Ngo, Michael M Cox, Arun Yethiraj, Qiang Cui, Douglas B Weibel
Molecular cell 60(3), 374--384, Elsevier, 2015
2014
Free energy calculations for the peripheral binding of proteins/peptides to an anionic membrane. 1. Implicit membrane models
Leili Zhang, Arun Yethiraj, Qiang Cui
Journal of chemical theory and computation 10(7), 2845--2859, ACS Publications, 2014
Leili Zhang, Arun Yethiraj, Qiang Cui
Journal of chemical theory and computation 10(7), 2845--2859, ACS Publications, 2014
2013
Tethered spectroscopic probes estimate dynamic distances with subnanometer resolution in voltage-dependent potassium channels
Brian W Jarecki, Suqing Zheng, Leili Zhang, Xiaoxun Li, Xin Zhou, Qiang Cui, Weiping Tang, Baron Chanda
Biophysical journal 105(12), 2724--2732, Elsevier, 2013
Brian W Jarecki, Suqing Zheng, Leili Zhang, Xiaoxun Li, Xin Zhou, Qiang Cui, Weiping Tang, Baron Chanda
Biophysical journal 105(12), 2724--2732, Elsevier, 2013
Generation and sensing of membrane curvature: Where materials science and biophysics meet
Qiang Cui, Leili Zhang, Zhe Wu, Arun Yethiraj
Current Opinion in Solid State and Materials Science 17(4), 164--174, Elsevier, 2013
Qiang Cui, Leili Zhang, Zhe Wu, Arun Yethiraj
Current Opinion in Solid State and Materials Science 17(4), 164--174, Elsevier, 2013