Leili Zhang
Leili Zhang
IBM Thomas J Watson Research Center
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Structural basis of the potential binding mechanism of remdesivir to SARS-CoV-2 RNA-dependent RNA polymerase
L Zhang, R Zhou
The Journal of Physical Chemistry B 124 (32), 6955-6962, 2020
Robust Antibacterial Activity of Tungsten Oxide (WO3-x) Nanodots
G Duan, L Chen, Z Jing, P De Luna, L Wen, L Zhang, L Zhao, J Xu, Z Li, ...
Chemical research in toxicology 32 (7), 1357-1366, 2019
Graphene oxide nanosheets retard cellular migration via disruption of actin cytoskeleton
X Tian, Z Yang, G Duan, A Wu, Z Gu, L Zhang, C Chen, Z Chai, C Ge, ...
Small 13 (3), 1602133, 2017
Stability of ligands on nanoparticles regulating the integrity of biological membranes at the nano–lipid interface
L Wang, P Quan, SH Chen, W Bu, YF Li, X Wu, J Wu, L Zhang, Y Zhao, ...
ACS nano 13 (8), 8680-8693, 2019
Lipid corona formation from nanoparticle interactions with bilayers
LL Olenick, JM Troiano, A Vartanian, ES Melby, AC Mensch, L Zhang, ...
Chem 4 (11), 2709-2723, 2018
Different states of synaptotagmin regulate evoked versus spontaneous release
H Bai, R Xue, H Bao, L Zhang, A Yethiraj, Q Cui, ER Chapman
Nature communications 7 (1), 10971, 2016
Anionic phospholipids stabilize RecA filament bundles in Escherichia coli
M Rajendram, L Zhang, BJ Reynolds, GK Auer, HH Tuson, KV Ngo, ...
Molecular cell 60 (3), 374-384, 2015
Emerging β-sheet rich conformations in supercompact huntingtin exon-1 mutant structures
H Kang, FX Vázquez, L Zhang, P Das, L Toledo-Sherman, B Luan, ...
Journal of the American Chemical Society 139 (26), 8820-8827, 2017
Binding specificity determines the cytochrome P450 3A4 mediated enantioselective metabolism of metconazole
S Zhuang, L Zhang, T Zhan, L Lu, L Zhao, H Wang, JA Morrone, W Liu, ...
The Journal of Physical Chemistry B 122 (3), 1176-1184, 2018
Free energy calculations for the peripheral binding of proteins/peptides to an anionic membrane. 1. Implicit membrane models
L Zhang, A Yethiraj, Q Cui
Journal of Chemical Theory and Computation 10 (7), 2845-2859, 2014
Generation and sensing of membrane curvature: where materials science and biophysics meet
Q Cui, L Zhang, Z Wu, A Yethiraj
Current Opinion in Solid State and Materials Science 17 (4), 164-174, 2013
Ionic hydrogen bonds and lipid packing defects determine the binding orientation and insertion depth of RecA on multicomponent lipid bilayers
L Zhang, M Rajendram, DB Weibel, A Yethiraj, Q Cui
The Journal of Physical Chemistry B 120 (33), 8424-8437, 2016
Modeling and structural characterization of the sweet taste receptor heterodimer
JM Perez-Aguilar, S Kang, L Zhang, R Zhou
ACS Chemical Neuroscience 10 (11), 4579-4592, 2019
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction
JK Weber, JA Morrone, S Bagchi, JDE Pabon, S Kang, L Zhang, ...
Journal of Computer-Aided Molecular Design, 1-14, 2022
Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials
L Zhang, M Feng, R Zhou, B Luan
Nanotechnology 28 (35), 354001, 2017
Parameterization of molybdenum disulfide interacting with water using the free energy perturbation method
L Zhang, B Luan, R Zhou
The Journal of Physical Chemistry B 123 (34), 7243-7252, 2019
Molecular mechanism of stabilizing the helical structure of huntingtin N17 in a micellar environment
L Zhang, H Kang, FX Vázquez, L Toledo-Sherman, B Luan, R Zhou
The Journal of Physical Chemistry B 121 (18), 4713-4721, 2017
Tethered spectroscopic probes estimate dynamic distances with subnanometer resolution in voltage-dependent potassium channels
BW Jarecki, S Zheng, L Zhang, X Li, X Zhou, Q Cui, W Tang, B Chanda
Biophysical journal 105 (12), 2724-2732, 2013
CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling method
L Zhang, G Domeniconi, CC Yang, S Kang, R Zhou, G Cong
BMC bioinformatics 22, 1-21, 2021
Dynamics-based peptide–mhc binding optimization by a convolutional variational autoencoder: a use-case model for Castelo
DR Bell, G Domeniconi, CC Yang, R Zhou, L Zhang, G Cong
Journal of Chemical Theory and Computation 17 (12), 7962-7971, 2021
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