Suivre
Ruibin Liu
Ruibin Liu
University of Maryland School of Pharmacy
Adresse e-mail validée de rx.umaryland.edu
Titre
Citée par
Citée par
Année
Assessing Lysine and Cysteine Reactivities for Designing Targeted Covalent Kinase Inhibitors
R Liu, Z Yue, CC Tsai, J Shen
J. Am. Chem. Soc. 141 (16), 6553-6560, 2019
982019
Ligand-induced changes in the characteristic size-dependent electronic energies of CdSe nanocrystals
BP Bloom, LB Zhao, Y Wang, DH Waldeck, R Liu, P Zhang, DN Beratan
The Journal of Physical Chemistry C 117 (43), 22401-22411, 2013
662013
Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors
JA Henderson, N Verma, RC Harris, R Liu, J Shen
The Journal of chemical physics 153 (11), 2020
512020
Predicting reactive cysteines with implicit-solvent-based continuous constant pH molecular dynamics in amber
RC Harris, R Liu, J Shen
Journal of chemical theory and computation 16 (6), 3689-3698, 2020
372020
Directing charge transfer in quantum dot assemblies
BP Bloom, R Liu, P Zhang, S Ghosh, R Naaman, DN Beratan, ...
Accounts of Chemical Research 51 (10), 2565-2573, 2018
322018
GPU-accelerated all-atom particle-mesh Ewald continuous constant pH molecular dynamics in Amber
JA Harris, R Liu, V Martins de Oliveira, EA Vázquez-Montelongo, ...
Journal of chemical theory and computation 18 (12), 7510-7527, 2022
312022
Constant ph molecular dynamics simulations: Current status and recent applications
VM de Oliveira, R Liu, J Shen
Current opinion in structural biology 77, 102498, 2022
242022
Reactivities of the front pocket N-terminal cap cysteines in human kinases
R Liu, S Zhan, Y Che, J Shen
Journal of medicinal chemistry 65 (2), 1525-1535, 2021
222021
Profiling MAP kinase cysteines for targeted covalent inhibitor design
R Liu, N Verma, JA Henderson, S Zhan, J Shen
RSC Medicinal Chemistry 13 (1), 54-63, 2022
152022
Controlling the electron-transfer kinetics of quantum-dot assemblies
R Liu, BP Bloom, DH Waldeck, P Zhang, DN Beratan
The Journal of Physical Chemistry C 121 (27), 14401-14412, 2017
142017
A guide to the continuous constant pH molecular dynamics methods in Amber and CHARMM [Article v1. 0]
JA Henderson, R Liu, JA Harris, Y Huang, VM de Oliveira, J Shen
Living journal of computational molecular science 4 (1), 2022
132022
Improving solar cell performance using quantum dot triad charge-separation engines
R Liu, BP Bloom, DH Waldeck, P Zhang, DN Beratan
The Journal of Physical Chemistry C 122 (11), 5924-5934, 2018
122018
Quantum descriptors for predicting and understanding the structure–activity relationships of Michael acceptor warheads
R Liu, EA Vázquez-Montelongo, S Ma, J Shen
Journal of chemical information and modeling 63 (15), 4912-4923, 2023
62023
Analysis of the ERK Pathway Cysteinome for Targeted Covalent Inhibition of RAF and MEK Kinases
A Romany, R Liu, S Zhan, J Clayton, J Shen
Journal of chemical information and modeling 63 (8), 2483-2494, 2023
62023
Structure–Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis
P Mahinthichaichan, R Liu, QN Vo, CR Ellis, L Stavitskaya, J Shen
Journal of chemical information and modeling 63 (7), 2196-2206, 2023
22023
Interrogating Proteome-wide Cysteine Ligandabilities: Crystallography Meets Chemoproteomics Through Machine Learning.
R Liu, J Clayton, M Shen, J Shen
Biorxiv: the Preprint Server for Biology, 2023
12023
Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study of the free enzyme and its …
M Ibrahim, X Sun, VM de Oliveira, R Liu, J Clayton, H El Kilani, J Shen, ...
hLife, 2024
2024
Machine Learned Classification of Ligand Intrinsic Activity at Human μ-Opioid Receptor
M Oh, M Shen, R Liu, L Stavitskaya, J Shen
bioRxiv, 2024
2024
Machine Learning Models to Interrogate Proteome-Wide Covalent Ligandabilities Directed at Cysteines
R Liu, J Clayton, M Shen, S Bhatnagar, J Shen
JACS Au 4 (4), 1374-1384, 2024
2024
Enabling proteome-wide targeted covalent drug discovery with machine learning
R Liu, JA Clayton, M Shen, J Shen
Biophysical Journal 123 (3), 551a, 2024
2024
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