Jianing Li
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The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling
J Li, R Abel, K Zhu, Y Cao, S Zhao, RA Friesner
Proteins: Structure, Function, and Bioinformatics 79 (10), 2794-2812, 2011
What are the pK a values of C–H bonds in aromatic heterocyclic compounds in DMSO?
K Shen, Y Fu, JN Li, L Liu, QX Guo
Tetrahedron 63 (7), 1568-1576, 2007
What are the pK a values of organophosphorus compounds?
JN Li, L Liu, Y Fu, QX Guo
Tetrahedron 62 (18), 4453-4462, 2006
Ligand-Dependent Activation and Deactivation of the Human Adenosine A2A Receptor
J Li, AL Jonsson, T Beuming, JC Shelley, GA Voth
Journal of the American Chemical Society 135 (23), 8749-8759, 2013
Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods
Y Fu, L Liu, YM Wang, JN Li, TQ Yu, QX Guo
The Journal of Physical Chemistry A 110 (17), 5874-5886, 2006
BH3‐in‐groove dimerization initiates and helix 9 dimerization expands Bax pore assembly in membranes
Z Zhang, S Subramaniam, J Kale, C Liao, B Huang, H Brahmbhatt, ...
The EMBO journal 35 (208-236), e201591552, 2016
First-principle predictions of basicity of organic amines and phosphines in acetonitrile
JN Li, Y Fu, L Liu, QX Guo
Tetrahedron 62 (50), 11801-11813, 2006
An Electrochemically and Thermally Switchable Donor–Acceptor [c2]Daisy Chain Rotaxane
CJ Bruns, J Li, M Frasconi, ST Schneebeli, J Iehl, HP Jacquot de Rouville, ...
Angewandte Chemie International Edition 53 (7), 1953-1958, 2014
Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases
AD Bochevarov, J Li, WJ Song, RA Friesner, SJ Lippard
Journal of the American Chemical Society 133 (19), 7384-7397, 2011
IDSite: an accurate approach to predict P450-mediated drug metabolism
J Li, ST Schneebeli, J Bylund, R Farid, RA Friesner
Journal of chemical theory and computation 7 (11), 3829-3845, 2011
DNA-imprinted polymer nanoparticles with monodispersity and prescribed DNA-strand patterns
T Trinh, C Liao, V Toader, M Barłóg, HS Bazzi, J Li, HF Sleiman
Nature chemistry 10 (2), 184, 2018
Progress in super long loop prediction
S Zhao, K Zhu, J Li, RA Friesner
Proteins: Structure, Function, and Bioinformatics 79 (10), 2920-2935, 2011
Single-molecule studies reveal a hidden key step in the activation mechanism of membrane-bound protein kinase C-α
BP Ziemba, J Li, KE Landgraf, JD Knight, GA Voth, JJ Falke
Biochemistry 53 (10), 1697-1713, 2014
Direct cysteine sulfenylation drives activation of the Src kinase
DE Heppner, CM Dustin, C Liao, M Hristova, C Veith, AC Little, BA Ahlers, ...
Nature communications 9 (1), 1-11, 2018
Designing safer analgesics via μ-opioid receptor pathways
HCS Chan, D McCarthy, J Li, K Palczewski, S Yuan
Trends in pharmacological sciences 38 (11), 1016-1037, 2017
Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis
PJLPSTS Dr. Xiaoxi Liu, Zackariah J. Weinert, Mona Sharafi, Dr. Chenyi Liao
Angewandte Chemie International Edition, 2015
Cysteine perthiosulfenic acid (Cys-SSOH): A novel intermediate in thiol-based redox signaling?
DE Heppner, M Hristova, T Ida, A Mijuskovic, CM Dustin, V Bogdándi, ...
Redox biology 14, 379-385, 2018
Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations
C Liao, M Esai Selvan, J Zhao, JL Slimovitch, ST Schneebeli, M Shelley, ...
The Journal of Physical Chemistry B 119 (33), 10390-10398, 2015
Interactions of protein kinase C-α C1A and C1B domains with membranes: a combined computational and experimental study
J Li, BP Ziemba, JJ Falke, GA Voth
Journal of the American Chemical Society 136 (33), 11757-11766, 2014
Spatial presentation of cholesterol units on a DNA cube as a determinant of membrane protein-mimicking functions
P Chidchob, D Offenbartl-Stiegert, D McCarthy, X Luo, J Li, S Howorka, ...
Journal of the American Chemical Society 141, 1100-1108, 2018
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