Kai Liu

6PUBLICATIONS
7CO-AUTHORS
Biologically active moleculesMycologyCheminformatics and quantitative structure-activity relationshipsCatalysis and mechanisms of reactionsStatistical mechanics in chemistry
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Publications (6)

|Jul 27, 2026
Isolation and Characterisation of Alkaloids from Marine-Derived Aspergillus fumigatus SYPHU504 with Antiproliferative Activity.

|Jun 12, 2026
Eight New Myrochromanol Derivatives From a Marine Fungal-Bacterial Symbiont.

|Feb 26, 2025
Discovery of Novel Pyridin-2-yl Urea Inhibitors Targeting ASK1 Kinase and Its Binding Mode by Absolute Protein-Ligand Binding Free Energy Calculations.

Lingzhi Wang, Yalei Gao, Yuying Chen

|Dec 13, 2023
The quantitative pyrrole protection of l-phenylalanine/l-phenylalaninol in aqueous media and rationally updating the mechanisms of the Clauson-Kaas reaction through DFT study.

Yuan Qin, Pei Cao, Virinder S Parmar

|Sep 02, 2020
Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations.

Kai Liu, Hironori Kokubo

|Sep 14, 2017
Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study.

Kai Liu, Hironori Kokubo

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Frequent Collaborators

2 joint publications

Hironori Kokubo

2 joint publications

Pei Cao

1 joint publications

Cheng-Hai Gao

1 joint publications

Xiang-Xi Yi