Các bài viết có thể truy cập công khai - Ruibin LiuTìm hiểu thêm
Không có ở bất kỳ nơi nào: 1
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
Các cơ quan ủy nhiệm: US National Institutes of Health
Có tại một số nơi: 14
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US Department of Energy, European Commission
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Science Foundation, US National Institutes of Health
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
Các cơ quan ủy nhiệm: US Department of Energy
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US Department of Energy
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, US National …
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