D. Luo

发表

QSAR study, molecular docking, and ADMET prediction of vinyl sulfone-containing Nrf2 activator derivatives for treating Parkinson disease

J. Tong, Jie Wang, D. Luo, 2022, Structural Chemistry.

QSAR analysis of 3-pyrimidin-4-yl-oxazolidin-2-one derivatives isocitrate dehydrogenase inhibitors using Topomer CoMFA and HQSAR methods

J. Tong, D. Luo, Shuai Bian, 2021, Molecular Diversity.

Structural investigation of tetrahydropteridin analogues as selective PLK1 inhibitors for treating cancer through combined QSAR techniques, molecular docking, and molecular dynamics simulations

Shuai Bian, J. Tong, D. Luo, 2021 .

6-amide-2-aryl benzoxazole/benzimidazole derivatives as VEFGR-2 inhibitors in two-and three-dimensional QSAR studies: topomer CoMFA and HQSAR

J. Tong, D. Luo, Yi Feng, 2021, Chemical Papers.

Computational strategies towards developing novel SARS-CoV-2 Mpro inhibitors against COVID-19

Shuai Bian, J. Tong, D. Luo, 2021, Journal of Molecular Structure.

3D-QSAR and Molecular Docking Analysis for Natural Aurone Derivatives as Anti-Malarial Agents

J. Tong, D. Luo, Yi Feng, 2021, Polycyclic Aromatic Compounds.

Investigation of Quantitative Structure Activity Relationship of Isatin-based Oxadiazole Derivatives as Thymidine Phosphorylase Inhibitors

J. Tong, D. Luo, Yi Feng, 2021 .

Molecular design, molecular docking and ADMET study of cyclic sulfonamide derivatives as SARS-CoV-2 inhibitors

Shuai Bian, J. Tong, D. Luo, 2021, Chinese Journal of Analytical Chemistry.

Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches

J. Wang, X. Zhang, X. Xiao, 2021, SAR and QSAR in environmental research.

A computational approach for designing novel SARS-CoV-2 Mpro inhibitors: combined QSAR, molecular docking, and molecular dynamics simulation techniques

Jie Wang, Xuedong Xiao, Shuai Bian, 2021, New Journal of Chemistry.

QSAR analysis of 3-pyrimidin-4-yl-oxazolidin-2-one derivatives isocitrate dehydrogenase inhibitors using Topomer CoMFA and HQSAR methods

Shuai Bian, J. Tong, D. Luo, 2021, Molecular Diversity.

Design of novel SHP2 inhibitors using Topomer CoMFA, HQSAR analysis, and molecular docking

Shuai Bian, J. Tong, D. Luo, 2020, Structural Chemistry.

Structural modification of 4, 5-dihydro-[1, 2, 4] triazolo [4, 3-f] pteridine derivatives as BRD4 inhibitors using 2D/3D-QSAR and molecular docking analysis

Shuai Bian, J. Tong, D. Luo, 2021, Molecular Diversity.

Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations

J. Tong, D. Luo, Yiqun Xing, 2023, Molecular diversity.