3 papers
cs.CE2026
Do in-silico metrics filter designed enzymes for catalysis?
Ziqi Zhang, Wei Zhang, Zhaohong Deng
Computational metrics are widely used to prioritize enzyme designs for experimental testing, yet their ability to capture catalytic function remains poorly established. Here, we sy…
cs.LG2025
Modeling enzyme temperature stability from sequence segment perspective
Ziqi Zhang, Shiheng Chen, Runze Yang +10
Developing enzymes with desired thermal properties is crucial for a wide range of industrial and research applications, and determining temperature stability is an essential step i…
cs.LG2024
EMOCPD: Efficient Attention-based Models for Computational Protein Design Using Amino Acid Microenvironment
Xiaoqi Ling, Cheng Cai, Demin Kong +4
Computational protein design (CPD) refers to the use of computational methods to design proteins. Traditional methods relying on energy functions and heuristic algorithms for seque…