Theo dõi
Ruibin Liu
Ruibin Liu
University of Maryland School of Pharmacy
Email được xác minh tại rx.umaryland.edu
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
1132019
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
682013
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
552020
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
532022
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
512022
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
442020
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
342018
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
272021
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), 1563, 2022
212022
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
162017
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
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
82023
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
72023
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
52024
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
52023
Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics
CA Peeples, R Liu, J Shen
The Journal of Physical Chemistry B 128 (47), 11616-11624, 2024
22024
Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study
M Ibrahim, X Sun, VM de Oliveira, R Liu, J Clayton, H El Kilani, J Shen, ...
hLife 2 (8), 419-433, 2024
22024
Machine Learned Classification of Ligand Intrinsic Activities at Human μ-Opioid Receptor
M Oh, M Shen, R Liu, L Stavitskaya, J Shen
ACS Chemical Neuroscience 15 (15), 2842-2852, 2024
12024
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
Hệ thống không thể thực hiện thao tác ngay bây giờ. Hãy thử lại sau.
Bài viết 1–20