Rui Lai

6PUBLICATIONS
7CO-AUTHORS
Biomolecular modelling and designTheoretical quantum chemistryMedical bacteriologyCharacterisation of biological macromoleculesProcess control and simulation
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|Apr 20, 2026
Modeling Method Based on Traditional Machine Learning and Graph Neural Network for Interpretable Prediction of Short Peptide logD.

|Mar 20, 2025
Deacetylation mechanism of histone deacetylase 8: insights from QM/MM MP2 calculations.

Rui Lai, Hui Li

|Dec 05, 2024
Mechanism of Ampicillin Hydrolysis by New Delhi Metallo-β-Lactamase 1: Insight From QM/MM MP2 Calculation.

Rui Lai, Hui Li

|Mar 08, 2024
Flexibility of Binding Site is Essential to the Ca2+ Selectivity in EF-Hand Calcium-Binding Proteins.

Rui Lai, Guohui Li, Qiang Cui

|Nov 07, 2023
Selective modulation of alkali metal ions on acetylcholinesterase.

Xia Mu, Shengwei Yuan, Dinglin Zhang

|Jun 12, 2023
A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution.

Hongqiang Cui, Rui Lai, Shengwei Yuan

Pageof 1

Frequent Collaborators

2 joint publications

Chenyi Liao

2 joint publications

Guohui Li

2 joint publications

Hui Li

1 joint publications

Anhui Wang