Wenjun Xie

16PUBLICATIONS
43CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMicroelectromechanical systems (MEMS)Polymerisation mechanismsBiomolecular modelling and designChemical and thermal processes in energy and combustion
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Publications (16)

|Oct 22, 2026
KRstereo: Predicting β-Hydroxy Stereochemistry in Polyketides Using Protein Language Models.

|Aug 31, 2026
Evaluating Mechanical-Embedding ML/MM for Predicting Mutation Effects in Chorismate Mutase Catalysis.

|May 14, 2026
Understanding Cell Wall Enzyme Function: From Classical Approaches to New Biotechnology.

|Dec 18, 2025
BGC-MAC and BGC-MAP: Attention-Based Models for Biosynthetic Gene Cluster Classification and Product Matching.

Kechen Lu, Mengting Li, Hao Geng

|Jan 10, 2025
Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step.

Natalia Gelfand, Vojtech Orel, Wenqiang Cui

|May 08, 2024
Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach.

Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu

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Frequent Collaborators

4 joint publications

Arieh Warshel

2 joint publications

Bin Zhang

2 joint publications

Mojgan Asadi

2 joint publications

Yousong Ding