47 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Zhejiang UniversityCN2 papers
- Center for Life SciencesCN1 paper
- College of MarinUS1 paper
- Italian Institute of TechnologyIT1 paper
- King CenterUS1 paper
- Nanjing UniversityCN1 paper
- Peking UniversityCN1 paper
- Scientific Simulations (United States)US1 paper
- Zhejiang LabCN1 paper
- Zhejiang University-University of Edinburgh InstituteCN1 paper
4 papers
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Kai Zhu, Enrico Trizio, Jintu Zhang +4
Molecular dynamics simulations hold great promise for providing insight into the microscopic behavior of complex molecular systems. However, their effectiveness is often constraine…
Human-level molecular optimization driven by mol-gene evolution
Jiebin Fang, Churu Mao, Yuchen Zhu +3
De novo molecule generation allows the search for more drug-like hits across a vast chemical space. However, lead optimization is still required, and the process of optimizing mole…
Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation
Ningfeng Liu, Jie Yu, Siyu Xiu +7
Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology. However, challen…
Amino-acid network clique analysis of protein mutation correlation effects: a case study of lysozme
Rui Chen, Dengming Ming, He Huang
Optimizing amino-acid mutations has been a most challenging task in modern bio- industrial enzyme designing. It is well known that many successful designs often hinge on extensive…